2-Bromo-4-chlorobenzothiazole

HCID 77178CAS 3622-40-0

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Basic information

Standard SMILES: Clc1cccc2sc(Br)nc12
InChIKey: OYBFKJFWVAZRMI-UHFFFAOYSA-N
Molecular formula: C7H3BrClNS
Average molar mass: 248.53 g/mol
Monoisotopic mass: 246.88581

Names & identifiers

Preferred name: 2-Bromo-4-chlorobenzothiazole
IUPAC: 2-bromo-4-chloro-1,3-benzothiazole
English name: 2-BROMO-4-CHLOROBENZOTHIAZOLE
Molecular formula: C7H3BrClNS
Molecular weight: 248.53

Names & synonyms

3622-40-02-Bromo-4-chlorobenzothiazoleEINECS 222-822-0DTXSID70189775NSC 523841RefChem:85713DTXCID30112266222-822-02-Bromo-4-chlorobenzo[d]thiazole2-bromo-4-chloro-1,3-benzothiazolebenzothiazole, 2-bromo-4-chloro-MFCD00127713

Show more names

2-Bromo-4-chlorobenzo[d]thiazole USP/EP/BP

JAX2228WYYNSC-523841NSC523841UNII-JAX2228WYYSCHEMBL2433144DAA62240AKOS015898460AC-12078

Database identifiers

CAS: 3622-40-0
PubChem CID: 77178
DTXSID: DTXSID70189775
UNII: JAX2228WYY
EC Number: 222-822-0
Nikkaji: J25.694C

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 41.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 157

Physicochemical properties

Melting point: 107 · 107-108 °C
Boiling point: 330.5 · 330.5±34.0 °C(Predicted)
Density: 1.849 · 1.849±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -2.02 · -2.02±0.10(Predicted)
Appearance: Light yellow to yellow Solid
FDA UNII: 2228 WYY · JAX2228WYY
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H335-H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
HS Code: 29342000 · 29342000

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

hs_code: 29342000
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H335-H319
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362