5-Bromo-2-hydroxybenzyl alcohol (HCID 75342)

Names & identifiers

Preferred name: 5-Bromo-2-hydroxybenzyl alcohol
IUPAC: 4-bromo-2-(hydroxymethyl)phenol
English name: 5-Bromo-2-hydroxybenzyl alcohol
Molecular formula: C7H7BrO2
Molecular weight: 203.03

Names & synonyms

2316-64-55-Bromo-2-hydroxybenzyl alcohol4-Bromo-2-(hydroxymethyl)phenolBromosaligeninBenzyl alcohol, 5-bromo-2-hydroxy-UNII-Y1UZ53815EY1UZ53815EEINECS 219-026-0NSC-13010BROMOSALIGENIN [MI]4-Bromo-2-hydroxymethyl-phenolDTXSID30177739

Show more names

RARECHEM AL BD 00402-HYDROXYMETHYL-4-BROMOPHENOL4-BROMO-2-HYDROXYMETHYLPHENOL5-Bromo-2-hydroxybenzenemethanol5-BROMO-2-HYDROXYBENZYL ALCOHOL 98%5-Bromo-2-hydroxybenzyl Alcohol >

NSC 13010RefChem:102131DTXCID40100230InChI=1/C7H7BrO2/c8-6-1-2-7(10)5(3-6)4-9/h1-3,9-10H,4HKNKRHSVKIORZQB-UHFFFAOYSA-N5-Bromosalicyl alcohol5-BromosaligeninBenzenemethanol, 5-bromo-2-hydroxy-

Database identifiers

CAS: 2316-64-5
PubChem CID: 75342
DTXSID: DTXSID30177739
UNII: Y1UZ53815E
EC Number: 219-026-0
Nikkaji: J7.397K

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 108

Physicochemical properties

Melting point: 110 · 110-112 °C (lit.)
Boiling point: 281.8 · 281.8±10.0 °C(Predicted)
Density: 1.5178 · 1.5178 (rough estimate)
refractive index: 1.462 · 1.4620 (estimate)
storage temp.: Inert atmosphere,Room Temperature
solubility: 0.7 % · water: soluble0.7% at 25°C(lit.)
form: Crystalline Powder or Flakes
pka: 9.36 · 9.36±0.18(Predicted)
color: White to light brown
Water Solubility: 0.7 % · water: soluble 0.7% at25°C(lit.)olive oil: soluble 4.8%(lit.)alcohol: freely soluble(lit.)benzene: moderately soluble(lit.)chloroform: moderately soluble(lit.)diethyl ether: freely soluble(lit.)ethyl acetate: freely soluble(lit.)hot water: soluble(lit.)
BRN: 509726 · 509726
InChI: 1S/C7H7BrO2/c8-6-1-2-7(10)5(3-6)4-9/h1-3,9-10H,4H2
InChIKey: KNKRHSVKIORZQB-UHFFFAOYSA-N
SMILES: OCc1cc(Br)ccc1O
CAS DataBase Reference: 2316 · 2316-64-5(CAS DataBase Reference)
FDA UNII: 1 UZ53815E · Y1UZ53815E
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39-24/25
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29081990 · 29081990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.7%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29081990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39-24/25
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses5-Bromo-2-hydroxybenzyl alcohol was used in the synthesis of:7-bromo-2,3-diphenyl-5H-imidazo[2,1-b][1,3]benzoxazine6-bromo-2-octyl-4H-1,3,2-benzodioxaphosphorin 2-oxide4-bromo-2-(5-iodo-1H-indol-3-ylmethyl)- phenol