13063-43-9 (二氯丙二腈,Dichloromalononitrile)

快速询单

结构式：

二氯丙二腈MOL文件

CAS号：

13063-43-9

中文名称：

二氯丙二腈

英文名称：

Dichloromalononitrile

分子式：

C₃Cl₂N₂

分子量：

134.951498031616

二氯丙二腈(13063-43-9)名称与标识符

名称

中文别名：

二氯丙二腈;5-乙酰基-2-溴苯甲酸甲酯;N-(叔丁氧羰基L)-S-乙基-L-半胱氨酸;二氯丙二腈,96%;

英文别名：

Dichloromalononitrile;2,2-dichloropropanedinitrile;cp51495;Dichloromalonitrile;dichloro-malononitril;Dichlorodicyanomethane;Malononitrile, dichloro-;2,2-DICHLOROMALONONITRILE;Dichloropropane-1,3-dinitrile;Dichloromalononitrile,97%;NS00024117;Propanedinitrile, 2,2-dichloro-;Propanedinitrile, dichloro-;2,2-Dichloro-Malononitrile;BRN 0906848;NSC 89686;2,2-Dichloromalononitrile #;dichloropropanedinitrile;CS-0444376;dichloromalonodinitrile;NSC-89686;DTXSID8073396;UNII-RWI9UI6QBX;3-02-00-01638 (Beilstein Handbook Reference);WLN: NCXGGCN;13063-43-9;CP 51495;SCHEMBL2851630;A806115;MFCD00001841;NCWGPYPDPWOJKC-UHFFFAOYSA-N;EINECS 235-955-4;NSC89686;FT-0624715;Propanedinitrile,2,2-dichloro-;RWI9UI6QBX;VS-08532;AKOS005622673;STK802372;Propanedinitrile, dichloro-(9CI);BBL027359;DTXCID7033991;

标识符

MDL：

MFCD00001841

InChIKey：

NCWGPYPDPWOJKC-UHFFFAOYSA-N

Inchi：

1S/C3Cl2N2/c4-3(5,1-6)2-7

SMILES：

ClC(C#N)(C#N)Cl

BRN：

906848

二氯丙二腈(13063-43-9)物化性质

实验特性

LogP : 1.20746
PSA : 47.58000
折射率 : n20/D 1.431(lit.)
沸点 : 97 °C(lit.)
闪点 : >230 °F
颜色与性状 : 无色液体
溶解性 : 未确定
密度 : 1.312 g/mL at 25 °C(lit.)

计算特性

精确分子量 : 133.94400
氢键供体数量 : 0
氢键受体数量 : 2
可旋转化学键数量 : 0
同位素质量 : 133.944
重原子数量 : 7
复杂度 : 136
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 1.1
互变异构体数量 : 无
表面电荷 : 0
拓扑分子极性表面积 : 47.6A^2

二氯丙二腈(13063-43-9)安全信息

RTECS号： OO3740000
WGK Germany： 3
安全术语： 6.1
安全说明： S26-S27-S37/39
包装等级： III
包装类别： III
风险术语： R23/24/25
危险等级： 6.1
危险品标志： T
危险品运输编号： UN 2810 6.1/PG 2
PackingGroup： III
危险类别码： 20/21/22-36/37/38-36-23/24/25
HazardClass： 6.1

二氯丙二腈(13063-43-9)国际标准相关数据

EINECS：

235-955-4

二氯丙二腈(13063-43-9)海关数据

海关编码：

2926909090

海关数据：

中国海关编码：

2926909090

概述：

2926909090 其他腈基化合物. 增值税率:17.0% 退税率:9.0% 监管条件:无最惠国关税:6.5% 普通关税:30.0%

申报要素：

品名, 成分含量, 用途

Summary：

HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

二氯丙二腈(13063-43-9)推荐厂家更多厂家(4)

公司名称	手机号/电话	联系人	QQ	询单
上海依赫生物科技有限公司	17721395025 021-68882955	张经理	2423903095	询单
赫澎（上海）生物科技有限公司	13122891558 186-16545970	张硕	3418426269	询单
JACS-郑州杰克斯化工产品有限公司	15981966935 0371-86259281	杰克斯JACS	893596907	询单
北京百灵威科技有限公司	18210857532	翟先生	3650742139	询单

二氯丙二腈(13063-43-9)上下游

2,5-二氯吡啶-3-甲腈丙二腈水氯

二氯丙二腈(13063-43-9)相关文献

1. Reactions of 1,2,3-dithiazoles with halogenated malononitriles
Irene C. Christoforou,Panayiotis A. Koutentis,Charles W. Rees J. Chem. Soc. Perkin Trans. 1 2002 1236
2. 1,3-Dipolar cycloaddition of α-phenyl-N-tert-butylnitrone (PBN) to dichloro- and dibromo-malononitrile, chlorotricyanomethane and tetracyanomethane. Structure of products and kinetics of their formation
Lennart Eberson,John J. McCullough,Chris M. Hartshorn,Michael P. Hartshorn J. Chem. Soc. Perkin Trans. 2 1998 41
3. 4H-1,2,6-Thiadiazin-4-one-containing small molecule donors and additive effects on their performance in solution-processed organic solar cells
Felix Hermerschmidt,Andreas S. Kalogirou,Jie Min,Georgia A. Zissimou,Sachetan M. Tuladhar,Tayebeh Ameri,Hendrik Faber,Grigorios Itskos,Stelios A. Choulis,Thomas D. Anthopoulos,Donal D. C. Bradley,Jenny Nelson,Christoph J. Brabec,Panayiotis A. Koutentis J. Mater. Chem. C 2015 3 2358
4. Spectroscopic characterization of C-4 substituted 3,5-dichloro-4H-1,2,6-thiadiazines
Eleni Theodorou,Heraklidia A. Ioannidou,Theodosia A. Ioannou,Andreas S. Kalogirou,Christos P. Constantinides,Maria Manoli,Panayiotis A. Koutentis,Sophia C. Hayes RSC Adv. 2015 5 18471
5. New π-electron donors for organic metals: synthesis of substituted tetrathiafulvalenes with eight- and nine-membered dithiaheterocycles: crystal structure of 5,6,7,8-tetrahydro-1,3-dithiolo[4,5-b][1,4]dithiocine-2-thione
S. Kalyan Kumar,Harkesh B. Singh,Jerry P. Jasinski,Ernest S. Paight,Ray J. Butcher J. Chem. Soc. Perkin Trans. 1 1991 3341

二氯丙二腈(13063-43-9) MSDS

基础信息

Name:	Dichloromalononitrile 97% Material Safety Data Sheet
Synonym:	Malononitrile, dichloro
CAS:	13063-43-9

Section 1 - Chemical Product ? MSDS Name:Dichloromalononitrile 97% Material Safety Data Sheet
Synonym:Malononitrile, dichloro

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
13063-43-9	Dichloromalononitrile	97	235-955-4

Hazard Symbols: T
Risk Phrases: 23/24/25

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Toxic by inhalation, in contact with skin and if swallowed.Lachrymator (substance which increases the flow of tears).Toxic.
Potential Health Effects
Eye:
Causes severe eye irritation. Lachrymator (substance which increases the flow of tears). May cause chemical conjunctivitis and corneal damage.
Skin:
Causes severe skin irritation.
Ingestion:
Harmful if swallowed. May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
May cause respiratory tract irritation. May cause burning sensation, coughing, wheezing, laryngitis, shortness of breath, headache, nausea, and vomiting.
Chronic:
Effects may be delayed.

Section 4 - FIRST AID MEASURES
? Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately. Do NOT allow victim to rub eyes or keep eyes closed.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid immediately. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Do not use mouth-to-mouth resuscitation if victim ingested or inhaled the substance; induce artificial respiration with the aid of a pocket mask equipped with a one-way valve or other proper respiratory medical device.
Notes to Physician:

Section 5 - FIRE FIGHTING MEASURES
? General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas.
Extinguishing Media:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
? General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Do not get in eyes, on skin, or on clothing. Do not ingest or inhale. Use only in a chemical fume hood. Do not breathe vapor.
Storage:
Store in a cool, dry, well-ventilated area away from incompatible substances. Keep containers tightly closed.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 13063-43-9: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves and clothing to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Wear a NIOSH/MSHA or European Standard EN 149 approved full-facepiece airline respirator in the positive pressure mode with emergency escape provisions.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
?
Physical State: Clear liquid
Color: clear yellow
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 97 deg C @ 760.00mmHg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not applicable.
Flash Point: > 112 deg C (> 233.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Not available.
Specific Gravity/Density: 1.3120g/cm3
Molecular Formula: C3Cl2N2
Molecular Weight: 134.95

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, excess heat.
Incompatibilities with Other Materials:
Strong acids, strong bases, strong oxidizing agents, strong reducing agents.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, carbon dioxide, chloride fumes.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 13063-43-9: OO3740000 LD50/LC50:
CAS# 13063-43-9: Draize test, rabbit, skin: 200 uL/24H Severe; Oral, rabbit: LD50 = >126 mg/kg; Oral, rat: LD50 = 130 mg/kg.
LD50: Oral, rat = 130 Carcinogenicity:
Dichloromalononitrile - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION
?

Section 13 - DISPOSAL CONSIDERATIONS
? Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
?
IATA
Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2810
Packing Group: II
IMO
Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2810
Packing Group: II
RID/ADR
Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2810
Packing group: II

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T
Risk Phrases:
R 23/24/25 Toxic by inhalation, in contact with skin
and if swallowed.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 13063-43-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 13063-43-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 13063-43-9 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A