CAS 670253-38-0 6-Amino-4-chloro-3-pyridinecarbonitrile (HCID 21949219)

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Basic information

CAS: 670253-38-0
Standard SMILES: N#Cc1cnc(N)cc1Cl
InChIKey: OGAMEMYFVKKANA-UHFFFAOYSA-N
Molecular formula: C6H4ClN3
Average molar mass: 153.57 g/mol
Monoisotopic mass: 153.00937481

Names & identifiers

Preferred name: 6-Amino-4-chloro-3-pyridinecarbonitrile
IUPAC: 6-amino-4-chloropyridine-3-carbonitrile
English name: 6-AMino-4-chloro-3-pyridinecarbonitrile
Molecular formula: C6H4ClN3
Molecular weight: 153.57

Names & synonyms

670253-38-06-Amino-4-chloro-3-pyridinecarbonitrile6-Amino-4-chloropyridine-3-carbonitrileDTXSID701281014RefChem:540247DTXCID601709712873-460-06-amino-4-chloronicotinonitrileMFCD20724002SCHEMBL51087792-Amino-4-chloro-5-cyanopyridineSB74625

Show more names

EOS-613943-Pyridinecarbonitrile, 6-amino-4-chloro-Carbamicacid,N-3-cyclohexen-1-yl-,1,5-dimethylethylester

AS-78862EN300-215100I11985AMY32420SCHEMBL302036236-amino-4-chloro-3-cyanopyridineVBB253386-amino-4-chloro-pyridine-3-carbonitrile

Database identifiers

CAS: 670253-38-0
PubChem CID: 21949219
DTXSID: DTXSID701281014
EC Number: 873-460-0

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 62.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 162

Physicochemical properties

Boiling point: 342.2 · 342.2±42.0 °C(Predicted)
Density: 1.42 · 1.42±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light
pka: 2.44 · 2.44±0.24(Predicted)
Appearance: Yellow to brown Solid
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301-H311-H331
Precautionary statements: 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

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: Danger
Symbol(GHS): GHS06
Hazard statements: H301-H311-H331
Precautionary statements: P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501