CAS 31928-47-9 4-Bromo-2-chloro-1-iodobenzene (HCID 2735547)

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Basic information

CAS: 31928-47-9
Standard SMILES: Clc1cc(Br)ccc1I
InChIKey: OHHKQBZOURGNLR-UHFFFAOYSA-N
Molecular formula: C6H3BrClI
Average molar mass: 317.35 g/mol
Monoisotopic mass: 315.81513788

Names & identifiers

Preferred name: 4-Bromo-2-chloro-1-iodobenzene
IUPAC: 4-bromo-2-chloro-1-iodobenzene
English name: 4-Bromo-2-chloro-1-iodobenzene
Molecular formula: C6H3BrClI
Molecular weight: 317.35

Names & synonyms

4-Bromo-2-chloro-1-iodobenzene31928-47-9DTXSID10370786RefChem:98058DTXCID20321820608-683-24-Bromo-2-chloroiodobenzene1-bromo-3-chloro-4-iodobenzeneMFCD000797094-bromo-2-chloro-1-iodo-benzeneBenzene, 4-bromo-2-chloro-1-iodo-3-chloro-4-iodobromobenzene

Show more names

BUTTPARK 34\07-784-bromo-chloro-1-iodobenzene2-Chloro-4-Bromo Iodobenzene4-Bromo-3-chloro-1-iodobenzene4-Bromo-2-chloroiodobenzene 97%

4-Bromo-2-chloro-iodobenzeneSCHEMBL333036SCHEMBL1099161SCHEMBL29587974AKOS000279308CS-W013950FB70854AC-26062

Database identifiers

CAS: 31928-47-9
PubChem CID: 2735547
DTXSID: DTXSID10370786
EC Number: 608-683-2
Nikkaji: J3.149.151G

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 99.1

Physicochemical properties

Melting point: 35 °C · 35 °C
Boiling point: 103 · 103-105°C
Density: 2.272 · 2.272±0.06 g/cm3 (20 ºC 760 Torr)
refractive index: 1.6722 · 1.6722
Flash point: 103 · 103-105°C/1mm
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: powder to lump to clear liquid
color: White or Colorless to Yellow
Sensitive: Light Sensitive
BRN: 2435075 · 2435075
InChI: InChI=1S/C6H3BrClI/c7-4-1-2-6(9)5(8)3-4/h1-3H
InChIKey: OHHKQBZOURGNLR-UHFFFAOYSA-N
SMILES: C1(I)=CC=C(Br)C=C1Cl
CAS DataBase Reference: 31928 · 31928-47-9(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (28.6%): 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)

Aggregated GHS information provided per 14 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (28.6%)

Safety data

hs_code: 29039990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/37/39-36-37
Hazard statements: H335-H315-H319
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313