3-Chlorobenzyl alcohol
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Basic information
- CAS
873-63-2- Standard SMILES
OCc1cccc(Cl)c1- InChIKey
ZSRDNPVYGSFUMD-UHFFFAOYSA-N- Molecular formula
- C7H7ClO
- Average molar mass
- 142.58 g/mol
- Monoisotopic mass
- 142.01854252
Overview
(3-Chlorophenyl)methanol is a member of benzyl alcohols.
Names & identifiers
- Preferred name
- 3-Chlorobenzyl alcohol
- IUPAC
- (3-chlorophenyl)methanol
- English name
- 3-Chlorobenzyl alcohol
- Molecular formula
- C7H7ClO
- Molecular weight
- 142.58
Names & synonyms
3-Chlorobenzyl alcohol873-63-2Benzenemethanol, 3-chloro-DTXSID70236273EINECS 212-847-5RefChem:500465DTXCID70158764212-847-5(3-Chlorophenyl)methanolm-Chlorobenzyl alcohol3-chlorobenzylalcohol3-Chlorobenzenemethanol
Show more names
RARECHEM AL BD 00563-Hydroxybenzyl alcohoMETA-CHLOROBENZYLALCOHOL3-Chlorobenzylalcohol,99%3-Chlorobenzyl Alcohol >3-Chlorobenzyl alcohol 98%
3-chloro-benzyl alcoholMFCD00004632(3-chlorophenyl)-methanol(3-Chlorophenyl)methanol #3-Chlorobenzyl alcohol, 98%(3-chlorophenyl)methan-1-olm-chlorobm-chlorobenzylalcohol
Database identifiers
- CAS
873-63-2- PubChem CID
- 70117
- DTXSID
DTXSID70236273- ChEBI
CHEBI:194665- UNII
- CPF4FF63L8
- EC Number
- 212-847-5
- Nikkaji
- J141.586G
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 85
Physicochemical properties
- Melting point
- 236 °C · 236 °C
- Boiling point
- 237 °C · 237 °C (lit.)
- Density
- 1.211 g/mL · 1.211 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.555(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 14.09 · 14.09±0.10(Predicted)
- form
- clear liquid
- color
- Colorless to Almost colorless
- Specific Gravity
- 1.211 · 1.211 (20/4℃)
- BRN
- 2041501 · 2041501
- InChI
- InChI=1S/C7H7ClO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2
- InChIKey
- ZSRDNPVYGSFUMD-UHFFFAOYSA-N
- SMILES
- C1(CO)=CC=CC(Cl)=C1
- CAS DataBase Reference
- 873 · 873-63-2(CAS DataBase Reference)
- NIST Chemistry Reference
- 3 · 3-Chlorobenzyl alcohol(873-63-2)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 402 · H402
- Precautionary statements
- 273 · P273-P501
- PPE
- Eyeshields, Gloves
- Hazard Codes
- Xi
- Safety Statements
- 24 · 24/25
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- HS Code
- 29062900 · 29062900
- Storage Class
- 10 · 10 - Combustible liquids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: Benzenemethanol, 3-chloro-
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29062900
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 24/25
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H402
- Precautionary statements
- P273-P501
Chemistry & industry
Applications
Uses3-Chlorobenzyl alcohol serves as a model benzene derivative for investigating electronic structural impacts[3].
Upstream & downstream products
Upstream raw materials
Downstream products
Additional notes
DefinitionChEBI: (3-Chlorophenyl)methanol is a member of benzyl alcohols.
Related reactions
47 records
Compound notes
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