CAS 37924-85-9 1,2-Benzisoxazole, 3-(bromomethyl)- (HCID 3499189)

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Basic information

CAS: 37924-85-9
Standard SMILES: BrCc1noc2ccccc12
InChIKey: MAIKTETULSZRED-UHFFFAOYSA-N
Molecular formula: C8H6BrNO
Average molar mass: 212.04 g/mol
Monoisotopic mass: 210.96327591

Names & identifiers

Preferred name: 1,2-Benzisoxazole, 3-(bromomethyl)-
IUPAC: 3-(bromomethyl)-1,2-benzoxazole
English name: 3-(BROMOMETHYL)-1,2-BENZISOXAZOLE
Molecular formula: C8H6BrNO
Molecular weight: 212.04

Names & synonyms

3-Bromomethylbenzisoxazole1,2-Benzisoxazole, 3-(bromomethyl)-RefChem:411294609-489-037924-85-93-(Bromomethyl)-1,2-benzisoxazole3-(bromomethyl)benzo[d]isoxazole3-(bromomethyl)-1,2-benzoxazole3-Bromomethyl-1,2-Benzisoxazole3-bromomethyl-benzo[d]isoxazoleMFCD037011483-bromoethylbenzo[o]isoxazole

Show more names

3-BMBI 3-Bromomethyl Benzisoxazole3-BROMOMETHYL-1,2-BENZISOXAZOLE(ZONISAMIDE INTERMEDIATE)

BMBI3-bromomethyl benzisoxazoleSCHEMBL6921953-bromomethyl benzo[d]isoxazoleBromomethyl)-1,2-benzisoxazoleSCHEMBL29361971DTXSID40393069MAIKTETULSZRED-UHFFFAOYSA-N

Database identifiers

CAS: 37924-85-9
PubChem CID: 3499189
DTXSID: DTXSID40393069
EC Number: 609-489-0

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 26 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 142

Physicochemical properties

Melting point: 64 · 64-65°C
Boiling point: 302.5 · 302.5±17.0 °C(Predicted)
Density: 1.642 · 1.642±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
solubility: Acetone, Chloroform, Dichloromethane, Ethyl Acetate
form: Solid
pka: -3.26 · -3.26±0.30(Predicted)
color: Colourless Crystalline
InChI: InChI=1S/C8H6BrNO/c9-5-7-6-3-1-2-4-8(6)11-10-7/h1-4H,5H2
InChIKey: MAIKTETULSZRED-UHFFFAOYSA-N
SMILES: O1C2=C(C=CC=C2)C(CBr)=N1
CAS DataBase Reference: 37924 · 37924-85-9(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 29349990
risk_code: 22-36
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 26
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313