CAS 156483-07-7 4-Bromo-2,3,5-trimethylphenol (HCID 3629334)

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Basic information

CAS: 156483-07-7
Standard SMILES: Cc1cc(O)c(C)c(C)c1Br
InChIKey: KHQCLZZWQARYJF-UHFFFAOYSA-N
Molecular formula: C9H11BrO
Average molar mass: 215.09 g/mol
Monoisotopic mass: 213.99932707

Names & identifiers

Preferred name: 4-Bromo-2,3,5-trimethylphenol
IUPAC: 4-bromo-2,3,5-trimethylphenol
English name: Phenol, 4-bromo-2,3,5-trimethyl-
Molecular formula: C9H11BrO
Molecular weight: 215.09

Names & synonyms

4-bromo-2,3,5-trimethylphenol156483-07-7DTXSID70394463RefChem:290559DTXCID60345323855-943-8Phenol, 4-bromo-2,3,5-trimethyl-MFCD00983799SCHEMBL658795KHQCLZZWQARYJF-UHFFFAOYSA-NGGA483074-bromanyl-2,3,5-trimethyl-phenol

Show more names

4-bromo-2,3,5-trimethylbenzenephenol

AKOS024151908AS-91908SY200805DB-205704EN300-208650F84766F980093Z1269161238

Database identifiers

CAS: 156483-07-7
PubChem CID: 3629334
DTXSID: DTXSID70394463
EC Number: 855-943-8
Nikkaji: J3.364.232F

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 138

Physicochemical properties

Boiling point: 283.8 · 283.8±35.0 °C(Predicted)
Density: 1.406 · 1.406±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, stored under nitrogen
pka: 9.99 · 9.99±0.28(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 302 · H302-H318-H315-H335
Precautionary statements: 280 · P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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%)

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS05
Hazard statements: H302-H318-H315-H335
Precautionary statements: P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362