CAS 17849-38-6 2-Chlorobenzyl alcohol (HCID 28810)

Names & identifiers

Preferred name: 2-Chlorobenzyl alcohol
IUPAC: (2-chlorophenyl)methanol
English name: 2-Chlorobenzyl alcohol
Molecular formula: C7H7ClO
Molecular weight: 142.58

Names & synonyms

2-CHLOROBENZYL ALCOHOLBenzenemethanol, 2-chloro-EINECS 241-801-7AI3-20627RefChem:470391241-801-717849-38-6(2-chlorophenyl)methanolo-Chlorobenzyl alcohol2-ChlorobenzenemethanolMFCD00004604Benzyl alcohol, o-chloro-

Show more names

RARECHEM AL BD 00182-Chlorobenzyl alcoho-chlorobenzoylalcoholLABOTEST-BB LT019869102-Chlorobenzenemehtanol2-Chloro-benzenemethanol

ortho-Chlorobenzyl alcohol(2-Chloro-phenyl)-methanol(2-chlorophenyl)methan-1-ol29349-22-22-chlorobenzylalcohol2-chlorophenylmethanolBenzenemethanol, ar-chloro-o-Chlorobenzenemethanol

Database identifiers

CAS: 17849-38-6、29349-22-2
PubChem CID: 28810
DTXSID: DTXSID2075132
UNII: U3BR8W8F7X
EC Number: 241-801-7
Nikkaji: J284D

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 85

Experimental & physicochemical properties

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

LogP1.77

Physicochemical properties

Melting point: 69 · 69-71 °C (lit.)
Boiling point: 227 °C · 227 °C (lit.)
Density: 1.1104 · 1.1104 (rough estimate)
refractive index: 1.539 · 1.5390 (estimate)
Flash point: 227 °C · 227°C
storage temp.: Sealed in dry,Room Temperature
solubility: 25 mg/mL, · chloroform: soluble25mg/mL, clear, colorless
pka: 13.99 · 13.99±0.10(Predicted)
form: Fine Crystalline Powder
color: White
BRN: 2042182 · 2042182
InChI: 1S/C7H7ClO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H2
InChIKey: MBYQPPXEXWRMQC-UHFFFAOYSA-N
SMILES: OCc1ccccc1Cl
LogP: 1.77 · 1.770
CAS DataBase Reference: 17849 · 17849-38-6(CAS DataBase Reference)
NIST Chemistry Reference: 2 · Benzenemethanol, 2-chloro-(17849-38-6)
EPA Substance Registry System: 2 · 2-Chlorobenzenemethanol (17849-38-6)
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-P305+P351+P338
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Hazard Codes: Xi
Safety Statements: 22 · 22-24/25
WGK Germany: 3 · 3
Hazard Note: Irritant
HS Code: 29062900 · 29062900
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: Benzenemethanol, 2-chloro-

Benzenemethanol, 2-chloro-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
hs_code: 29062900
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 22-24/25
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications · 2 items

Uses(2-Chlorophenyl)methanol is used as a reactant in the preparation of aldehydes and ketones using transition metal free aerobic oxidation and catalyzed by TEMPO/Br2/NaNO2.

General DescriptionMajor urinary metabolites of 2-chlorobenzyl alcohol in rats were 2-chlorohippuric acid, 2-chlorobenzyl cysteine, 2-chlorobenzoic acid and 2-chlorobenzyl glucuronic acid. It is a possible intermediate formed during the metabolism of 2-chloromandelic acid.

Upstream & downstream products

Upstream raw materials

2-CHLORO-5-HYDROXYBENZOIC ACID BenzeneMethanaMine, 2-chloro-N,N-diMethyl-Benzaldehyde Dimethylamine 2-Chlorobenzoyl chloride 2-Chlorotoluene 2-Chlorobenzaldehyde

Downstream products

2-CHLOROBENZYL CHLOROFORMATE N-Boc-N'-(2-chlorobenzyloxycarbonyl)-L-lysine 2-(2-chlorophenyl)-4,6-diphenyl-1,3,5-triazine o-Chlorobenzylidene malononitrile H-LYS(2-CL-Z)-OH 5-(2-CHLOROPHENYL)-1H-TETRAZOLE 2-Chlorostyrene 2-CHLOROBENZOYLACETONITRILE

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]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

Related reactions

31 records

New reaction record

HRID 192413As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 260732As reactantuspto-grants-1996_06

HRID 276752As reactantuspto-grants-2002_03

HRID 283067As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 297941As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 316378As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 637997As reactantuspto-grants-1985_12

HRID 679318As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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Basic information