CAS 37942-01-1 5-Bromo-2-methoxyphenol (HCID 142228)

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Basic information

CAS: 37942-01-1
Standard SMILES: COc1ccc(Br)cc1O
InChIKey: OLSJHVZRUFFIPL-UHFFFAOYSA-N
Molecular formula: C7H7BrO2
Average molar mass: 203.03 g/mol
Monoisotopic mass: 201.96294156

Names & identifiers

Preferred name: 5-Bromo-2-methoxyphenol
IUPAC: 5-bromo-2-methoxyphenol
English name: 5-Bromo-2-methoxyphenol
Molecular formula: C7H7BrO2
Molecular weight: 203.03

Names & synonyms

5-Bromo-2-methoxyphenolRefChem:533307609-492-737942-01-14-Bromo-2-hydroxyanisolePhenol, 5-bromo-2-methoxy-5-Bromo-2-methoxy-phenolMFCD006731373-Hydroxy-4-methoxybromobenzeneDTXSID20191383AKOS015834760CS-W007658

Show more names

5-Bromoguaiacol5-Bromoguaiacol (OH=1)5-Brom-2-methoxy-phenol5-Bromo-2-methoxyphenol >5-Bromo-2-Methoxyphenol,>98%5-Bromo-2-methoxyphenol ,99%

AC-83532-methoxy-5-bromophenolp-BromguajacolPhenol, 5-bromo-2-methoxy-,BCP133733-HYDROXY-4-METHOXY BROMOBENZENE5-bromo-2-methoxylphenolFT-0658860

Database identifiers

CAS: 37942-01-1
PubChem CID: 142228
DTXSID: DTXSID20191383
EC Number: 609-492-7
Nikkaji: J801.796D

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 108

Physicochemical properties

Melting point: 64 · 64-70
Boiling point: 150 °C · 150 °C / 20mmHg
Density: 1.585 · 1.585±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
pka: 9.01 · 9.01±0.10(Predicted)
form: powder to crystal
color: White to Almost white
InChI: InChI=1S/C7H7BrO2/c1-10-7-3-2-5(8)4-6(7)9/h2-4,9H,1H3
InChIKey: OLSJHVZRUFFIPL-UHFFFAOYSA-N
SMILES: C1(O)=CC(Br)=CC=C1OC
CAS DataBase Reference: 37942 · 37942-01-1(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (20%)

Safety data

hs_code: 29095000
risk_code: 20/21/22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant/Store Cold
safety_code: 26-36/37/39
hazard_class: IRRITANT
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313