Basic information
- CAS
13063-43-9- Standard SMILES
N#CC(Cl)(Cl)C#N- InChIKey
NCWGPYPDPWOJKC-UHFFFAOYSA-N- Molecular formula
- C3Cl2N2
- Average molar mass
- 134.95 g/mol
- Monoisotopic mass
- 133.9438534
Names & identifiers
- Preferred name
- Dichloromalononitrile
- IUPAC
- 2,2-dichloropropanedinitrile
- English name
- DICHLOROMALONONITRILE
- Molecular formula
- C3Cl2N2
- Molecular weight
- 134.95
Names & synonyms
DichloromalononitrilePropanedinitrile, dichloro-Dichlorodicyanomethane2,2-dichloropropanedinitrileMALONONITRILE, DICHLORO-DichloromalonitriledichloromalonodinitrileRWI9UI6QBXCP 51495EINECS 235-955-4NSC 89686BRN 0906848
Show more names
2,2-DICHLOROMALONONITRILEcp51495dichloro-malononitrilDichloromalononitrile,97%Dichloropropane-1,3-dinitrile
Propanedinitrile, 2,2-dichloro-UNII-RWI9UI6QBXNSC-896863-02-00-01638 (Beilstein Handbook Reference)DTXSID8073396RefChem:133075DTXCID7033991Propanedinitrile, dichloro-(9CI)
Database identifiers
- CAS
13063-43-9- PubChem CID
- 25660
- DTXSID
DTXSID8073396- UNII
- RWI9UI6QBX
- EC Number
- 235-955-4
- Nikkaji
- J48.711B
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 136
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Boiling point
- 97 °C · 97 °C(lit.)
- Density
- 1.312 g/mL · 1.312 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.431(lit.)
- Flash point
- 230 °F · >230 °F
- form
- Liquid
- color
- Clear yellow to light brown
- BRN
- 906848 · 906848
- CAS DataBase Reference
- 13063 · 13063-43-9(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 9 UI6QBX · RWI9UI6QBX
- EPA Substance Registry System
- Propanedinitrile, dichloro- (13063-43-9)
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Warning
- Hazard statements
- 301 · H301-H311-H315-H318-H331-H335
- Precautionary statements
- 261 · P261-P280-P301+P310a-P305+P351+P338-P405-P501a
- Hazard Codes
- Xn,T
- Risk Statements
- 20 · 20/21/22-36/37/38-36-23/24/25
- Safety Statements
- 26 · 26-27-37/39-45-36/37/39
- RIDADR
- 2810 · UN 2810 6.1/PG 2
- WGK Germany
- 3 · 3
- RTECS
- 3740000 · OO3740000
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 29269095 · 29269095
- Toxicity
- 50 · mouse,LD50,intravenous,10mg/kg (10mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02779,
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- wgk
- 3
- rtecs
- OO3740000
- ridadr
- UN 2810 6.1/PG 2
- hs_code
- 29269095
- Toxicity
- mouse,LD50,intravenous,10mg/kg (10mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02779,
- risk_code
- 20/21/22-36/37/38-36-23/24/25
- Signal word
- Warning
- Symbol(GHS)
- GHS05,GHS06
- hazard_code
- Xn,T
- safety_code
- 26-27-37/39-45-36/37/39
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H301-H311-H315-H318-H331-H335
- Precautionary statements
- P261-P280-P301+P310a-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers18 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
上海湄水化工科技有限公司021-60549325 18616193163
山东西亚化学有限公司4009903999 13395398332 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
河南拉瓦锡化工产品有限公司0371-63682289 18625781376 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
山东天铭生物科技发展有限责任公司400-9019001 400-901-9001
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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