CAS 93224-85-2 2-bromo-6-chlorobenzoic acid (HCID 33125)

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Basic information

CAS: 93224-85-2
Standard SMILES: O=C(O)c1c(Cl)cccc1Br
InChIKey: URGXUQODOUMRFP-UHFFFAOYSA-N
Molecular formula: C7H4BrClO2
Average molar mass: 235.464 g/mol
Monoisotopic mass: 233.90831915

Names & identifiers

Preferred name: 2-bromo-6-chlorobenzoic acid
IUPAC: 2-Bromo-6-chlorobenzoic acid
English name: 2-Bromo-6-chlorobenzoic acid
Molecular formula: C7H4BrClO2
Molecular weight: 235.46

Names & synonyms

3-bromo-2-chloro-benzoic acidAKOS MSC-0781BUTTPARK 51\01-282-Bromo-6-chlorobenzoicaci6-bromo-2-chloroBenzoic acid2-BROMO-6-CHLOROBENZOIC ACIDBenzoic acid, 2-broMo-6-chloro-2-Bromo-6-chlorobenzoic acid, CAS 93224-85-22-Bromo-6-chlorobenzoic acid ISO 9001：2015 REACH

Database identifiers

CAS: 93224-85-2
PubChem CID: 33125
DTXSID: DTXSID40275018
UNII: 62KG5T44XB
EC Number: 622-296-6
Nikkaji: J813.256I

Properties

Physicochemical properties

Melting point: 148 · 148-152 °C
Boiling point: 315.9 · 315.9±27.0 °C(Predicted)
Density: 1.809 · 1.809±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Ethyl Acetate (Slightly)
pka: 1.62 · 1.62±0.10(Predicted)
form: powder to crystal
color: White to Orange to Green
InChI: 1S/C7H4BrClO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)
InChIKey: URGXUQODOUMRFP-UHFFFAOYSA-N
SMILES: OC(=O)c1c(Cl)cccc1Br
CAS DataBase Reference: 93224 · 93224-85-2(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07,GHS06
Signal word: Danger
Hazard statements: 301 · H301-H315-H319-H335
Precautionary statements: 280 a-P304+P340-P405-P501a-P261-P301+P310-P305+P351+P338 · P280a-P304+P340-P405-P501a-P261-P301+P310-P305+P351+P338
target organs: Respiratory system
PPE: 2 · Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
Hazard Codes: Xi,T
Risk Statements: 25 · 25-36/37/38
Safety Statements

Safety & regulation

Safety data

PPE: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
wgk: 2
ridadr: 2811
hs_code: 2916399090
risk_code: 25-36/37/38
Signal word: Danger
Symbol(GHS): GHS07,GHS06
hazard_code: Xi,T
safety_code: 26-45
hazard_class: IRRITANT
Storage Class: 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
packing_group: Ⅲ
target organs: Respiratory system
Hazard statements: H301-H315-H319-H335
Hazard Classifications: Acute Tox. 3 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P280a-P304+P340-P405-P501a-P261-P301+P310-P305+P351+P338