(1,1'-Biphenyl)-4-methanol

HCID 19186
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
3597-91-9
Standard SMILES
OCc1ccc(-c2ccccc2)cc1
InChIKey
AXCHZLOJGKSWLV-UHFFFAOYSA-N
Molecular formula
C13H12O
Average molar mass
184.23 g/mol
Monoisotopic mass
184.088815

Overview

structure given in first source

Names & identifiers

Preferred name
(1,1'-Biphenyl)-4-methanol
IUPAC
(4-phenylphenyl)methanol
English name
4-Biphenylmethanol
Molecular formula
C13H12O
Molecular weight
184.23

Names & synonyms

4-BIPHENYLMETHANOL3597-91-94-Hydroxymethylbiphenyl4-(Hydroxymethyl)biphenyl(1,1'-Biphenyl)-4-methanol[1,1'-Biphenyl]-4-methanolGN8BN8XCF5NSC-84169NSC-233860DTXSID5075234RefChem:518562DTXCID3039119
Show more names
4-BPMANSC 2338604-DIPHENYLMETHANOLRARECHEM AL BD 01064-BIPHENYLYL-METHANOL
222-745-2[1,1'-Biphenyl]-4-ylmethanol(4-phenylphenyl)methanolbiphenyl-4-ylmethanol4-Phenylbenzyl alcoholBiphenyl-4-methanolp-Phenylbenzyl alcohol4HMB

Database identifiers

CAS
3597-91-9
PubChem CID
19186
DTXSID
DTXSID5075234
ChEMBL
CHEMBL332299
UNII
GN8BN8XCF5
EC Number
222-745-2
Nikkaji
J70.034G

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
14

Physicochemical properties

Melting point
96 · 96-100 °C (lit.)
Boiling point
184 °C · 184 °C / 11mmHg
Density
1.012 · 1.0120 (rough estimate)
refractive index
1.5928 · 1.5928 (estimate)
storage temp.
Inert atmosphere,Room Temperature
solubility
25 mg/mL · acetone: soluble25mg/mL

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, 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 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 (50%)

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
rtecs
DV5425000
hs_code
29062900
risk_code
20/21/22-36/37/38
Signal word
Warning

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 2 items

Substances that increase the risk of NEOPLASMS in humans or animals. Both genotoxic chemicals, which affect DNA directly, and nongenotoxic chemicals, which induce neoplasms by other mechanism, are included.

Chemical agents that increase the rate of genetic mutation by interfering with the function of nucleic acids. A clastogen is a specific mutagen that causes breaks in chromosomes.

Applications

UsesBiphenyl-4-methanol was used as reagent for the rapid quantitative determination of lithium alkyls.

General DescriptionBiphenyl-4-methanol acts as monofunctional alcohol initiator during the ring-opening polymerization of trimethylene carbonate (TMC) catalyzed by CH3SO3H and copolymerisation of ε-caprolactone and TMC.

Upstream & downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

Related reactions

62 records
New reaction record

Compound notes

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