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3,4,5-Tribromophenol

HCID 32929
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Basic information

CAS
116434-90-3
Standard SMILES
Oc1cc(Br)c(Br)c(Br)c1
InChIKey
KAVNMOZXRFSVPM-UHFFFAOYSA-N
Molecular formula
C6H3Br3O
Average molar mass
330.8 g/mol
Monoisotopic mass
327.7734

Names & identifiers

Preferred name
3,4,5-Tribromophenol
IUPAC
3,4,5-tribromophenol
English name
3,4,5-TRIBROMOPHENOL
Molecular formula
C6H3Br3O
Molecular weight
330.8

Names & synonyms

3,4,5-tribromophenol116434-90-3RefChem:485691818-874-4SCHEMBL5929901-Oxy-3,4,5-TribrombenzolSCHEMBL7308652DTXSID401365588REA43490AKOS026727778NS00132920EN300-861980
Show more names
Phenol, 3,4,5-tribromo-3,4,5-Tribromophenol@100 μg/mL in Toluene
Z1269121262

Database identifiers

CAS
116434-90-3
PubChem CID
32929
DTXSID
DTXSID401365588
EC Number
818-874-4
Nikkaji
J801.786G

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
10
Formal charge
0
Complexity
108

Physicochemical properties

Symbol(GHS)
7 · GHS07,GHS08
Signal word
Danger
Hazard statements
302 · H302-H335-H332-H319-H312-H334-H315
Precautionary statements
280 · P280-P302+P352-P312-P322-P363-P501-P261-P285-P304+P341-P342+P311-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word
Danger
Symbol(GHS)
GHS07,GHS08
Hazard statements
H302-H335-H332-H319-H312-H334-H315
Precautionary statements
P280-P302+P352-P312-P322-P363-P501-P261-P285-P304+P341-P342+P311-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312

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Compound notes

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