CAS 2497-91-8 2-Carboxy-4,6-dinitrochlorobenzene (HCID 17247)

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Basic information

CAS: 2497-91-8
Standard SMILES: O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl
InChIKey: ADTKEYLCJYYHHH-UHFFFAOYSA-N
Molecular formula: C7H3ClN2O6
Average molar mass: 246.562 g/mol
Monoisotopic mass: 245.9679635

Names & identifiers

Preferred name: 2-Carboxy-4,6-dinitrochlorobenzene
IUPAC: 2-Chloro-3,5-dinitrobenzoic acid
English name: 2-Chloro-3,5-dinitrobenzoic acid
Molecular formula: C7H3ClN2O6
Molecular weight: 246.56

Names & synonyms

2-Chloro-3TIMTEC-BB SBB0031775-dinitrobenzoic acidLodoxamide Impurity 142-chloro-3,5-dinitrobenzoate2-chloro-3,5-dinitro-benzoicaci2-CHLORO-3,5-DINITROBENZOIC ACID3,5-DINITRO-2-CHLOROBENZOIC ACID2-carboxy-4,6-dinitrochlorobenzeneBenzoic acid, 2-chloro-3,5-dinitro-

Database identifiers

CAS: 2497-91-8
PubChem CID: 17247
DTXSID: DTXSID20179686
UNII: PWE56YK9ST
EC Number: 219-684-9
Nikkaji: J374.725E、J41.208B

Properties

Physicochemical properties

Melting point: 196 · 196-199°C
Boiling point: 240 · 240-241°C
Density: 1.9543 · 1.9543 (rough estimate)
refractive index: 1.666 · 1.6660 (estimate)
pka: 1.51 · 1.51±0.10(Predicted)
BRN: 2146480 · 2146480
CAS DataBase Reference: 2497 · 2497-91-8(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 56 YK9ST · PWE56YK9ST
NIST Chemistry Reference: 2 · 2-Chloro-3,5-dinitrobenzoic acid(2497-91-8)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
RTECS: 4996500 · DG4996500
Toxicity: 50 · mouse,LD50,intravenous,180mg/kg (180mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02903,

Safety & regulation

Safety data

rtecs: DG4996500
Toxicity: mouse,LD50,intravenous,180mg/kg (180mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02903,
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-37/39
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a