4-Bromo-2-methylphenol

HCID 16896

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Basic information

CAS: 2362-12-1
Standard SMILES: Cc1cc(Br)ccc1O
InChIKey: IWJGMJHAIUBWKT-UHFFFAOYSA-N
Molecular formula: C7H7BrO
Average molar mass: 187.03 g/mol
Monoisotopic mass: 185.96802694

Names & identifiers

Preferred name: 4-Bromo-2-methylphenol
IUPAC: 4-bromo-2-methylphenol
English name: 4-Bromo-2-methylphenol
Molecular formula: C7H7BrO
Molecular weight: 187.03

Names & synonyms

4-Bromo-2-methylphenolPhenol, 4-bromo-2-methyl-o-CRESOL, 4-BROMO-BRN 2041491DTXSID801782914-06-00-02006 (Beilstein Handbook Reference)RefChem:98095DTXCID10100782627-649-8IWJGMJHAIUBWKT-UHFFFAOYSA-N2362-12-14-Bromo-o-cresol

Show more names

0/1/62AKOS BBB/3694-bromo-o-creso2014 hot sale! 4-BroORTHO-CRESOL,4-BROMO-4-BROMO-2-METHYLPHENOL 98%

2-methyl-4-bromophenol4-bromo-2-methyl-phenolMFCD00055435p-bromocresol2-hydroxy-5-bromotoluene4-bromo-cresolAKOS000319641CS-W016867

Database identifiers

CAS: 2362-12-1
PubChem CID: 16896
DTXSID: DTXSID80178291
ChEMBL: CHEMBL224022
EC Number: 627-649-8
Nikkaji: J67.701I

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 94.9

Physicochemical properties

Melting point: 63 · 63-67 °C
Boiling point: 63 · 63-67°C
Density: 1.3839 · 1.3839 (rough estimate)
refractive index: 1.5772 · 1.5772 (estimate)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: powder to lump
pka: 9.74 · 9.74±0.18(Predicted)
color: White to Light yellow to Light orange
Water Solubility: Slightly soluble in water.
InChI: InChI=1S/C7H7BrO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3
InChIKey: IWJGMJHAIUBWKT-UHFFFAOYSA-N
SMILES: C1(O)=CC=C(Br)C=C1C
CAS DataBase Reference: 2362 · 2362-12-1(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
NIST Chemistry Reference: 4 · 4-Bromo-2-methylphenol(2362-12-1)
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H312-H335-H302
Precautionary statements: 264 · P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501-P280h-P305+P351+P338-P322-P337+P313
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-22
Safety Statements: 26 · 26-36/37/39-24/25
WGK Germany: 3 · WGK 3
RTECS: 6868000 · GO6868000
Hazard Note: Irritant
HazardClass: IRRITANT, IRRITANT-HARMFUL
HS Code: 29089990 · 29089990
Storage Class: 13 · 13 - Non Combustible Solids
Hazard Classifications: 4 Oral · Acute Tox. 4 Oral

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (93.9%): 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 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (93.9%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: WGK 3
rtecs: GO6868000
hs_code: 29089990
risk_code: 36/37/38-22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
hazard_note: Irritant
safety_code: 26-36/37/39-24/25
hazard_class: IRRITANT, IRRITANT-HARMFUL
Storage Class: 13 - Non Combustible Solids
Hazard statements: H315-H319-H312-H335-H302
Hazard Classifications: Acute Tox. 4 Oral
Precautionary statements: P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501-P280h-P305+P351+P338-P322-P337+P313