Basic information
- CAS
1394041-65-6- Standard SMILES
N#Cc1ccnc(Cl)c1[N+](=O)[O-]- InChIKey
ZLJPCCMBISZPJO-UHFFFAOYSA-N- Molecular formula
- C6H2ClN3O2
- Average molar mass
- 183.55 g/mol
- Monoisotopic mass
- 182.983554
Names & identifiers
- Preferred name
- 2-Chloro-3-nitropyridine-4-carbonitrile
- IUPAC
- 2-chloro-3-nitropyridine-4-carbonitrile
- English name
- 4-Pyridinecarbonitrile, 2-chloro-3-nitro-
- Molecular formula
- C6H2ClN3O2
- Molecular weight
- 183.55
Names & synonyms
2-chloro-3-nitropyridine-4-carbonitrile1394041-65-62-Chloro-3-nitro-4-pyridinecarbonitrile2-Chloro-3-nitroisonicotinonitrileMFCD223752334-Pyridinecarbonitrile, 2-chloro-3-nitro-SCHEMBL310923252-chloro-3-nitroisonicotinnitrileDTXSID801271230UFC04165AKOS022704741AS-94906
Show more names
SY141565EN300-105648F81585F555547
Database identifiers
- CAS
1394041-65-6- PubChem CID
- 54553271
- DTXSID
DTXSID801271230- EC Number
- 175-630-3
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 231
Physicochemical properties
- Boiling point
- 323.3 · 323.3±42.0 °C(Predicted)
- Density
- 1.57 · 1.57±0.1 g/cm3(Predicted)
- pka
- -4.34 · -4.34±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers6 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
济南千叶医药技术有限公司0531-81313138 13066006660 · [email protected]
济南千叶医药技术有限公司70803088888 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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