1-Chloro-2,3-dimethylbenzene (HCID 32884)

Names & identifiers

Preferred name: 1-Chloro-2,3-dimethylbenzene
IUPAC: 1-chloro-2,3-dimethylbenzene
English name: 3-Chloro-o-xylene
Molecular formula: C8H9Cl
Molecular weight: 140.61

Names & synonyms

1-chloro-2,3-dimethylbenzene608-23-1NVLHGZIXTRYOKT-UHFFFAOYSA-RefChem:431164480-880-4612-040-1InChI=1/C8H9Cl/c1-6-4-3-5-8(9)7(6)2/h3-5H,1-2H33-Chloro-o-xylene2,3-Dimethylchlorobenzene3-Chloro-1,2-dimethylbenzeneMFCD0006068925323-41-5

Show more names

1-Chloro-o-xylene3-Chloroxylene,97%3-Chloroxylene, 97%3-Chloro-o-xylene >2,3-Dimethylcholrobenzene3-Chloro-o-dimethylbenzene

Benzene, 1-chloro-2,3-dimethyl-Benzene, chlorodimethyl-xylyl chloride3-CHLORO-ORTHO-XYLENEchloro o-xyleneMono-Chlorxylol1-chloro-2,3-dimethyl-benzenechloro-ortho-xylene

Database identifiers

CAS: 25323-41-5、608-23-1
PubChem CID: 32884
DTXSID: DTXSID501031403
EC Number: 480-880-4、612-040-1
Nikkaji: J31.764K

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 90.6

Physicochemical properties

Melting point: -41.95 °C · -41.95°C (estimate)
Boiling point: 194 °C · 194 °C(lit.)
Density: 1.1 g/mL · 1.1 g/mL at 25 °C(lit.)
vapor pressure: 64.9 Pa · 64.9Pa at 20℃
refractive index: 20 · n20/D 1.532(lit.)
Flash point: 164 °F · 164 °F
storage temp.: 2 · 2-8°C
form: liquid
Specific Gravity: 1.06 · 1.06
Water Solubility: 20.1 mg/L · 20.1mg/L at 24℃
InChI: 1S/C8H9Cl/c1-6-4-3-5-8(9)7(6)2/h3-5H,1-2H3
InChIKey: NVLHGZIXTRYOKT-UHFFFAOYSA-N
SMILES: Cc1cccc(Cl)c1C
LogP: 4.1 at · 4.1 at 23℃
CAS DataBase Reference: 608 · 608-23-1(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 227 · H227-H315-H319-H335
Precautionary statements: 210 · P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501-P210e-P261-P280a-P305+P351+P338-P405-P501a
PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39-36
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 2903998090 · 2903998090
Storage Class: 10 · 10 - Combustible liquids
REACH Registrations: Inactive

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H315 (85.7%): Causes skin irritation [Warning Skin corrosion/irritation]

Hazard information

Regulatory InformationStatus: Cease Manufacture Update: 16-01-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/25181

Hazard Classes and Categories · 2 items

Skin Irrit. 2 (85.7%)

Skin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
wgk: 3
hs_code: 2903998090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/37/39-36
hazard_class: IRRITANT
Storage Class: 10 - Combustible liquids
Hazard statements: H227-H315-H319-H335
REACH Registrations: Inactive
Precautionary statements: P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501-P210e-P261-P280a-P305+P351+P338-P405-P501a

Chemistry & industry

Applications

Uses3-Chloro-o-xylene, is used as a reagent in the preparation of internal alkynes by palladacycle-catalyzed decarboxlative coupling of alkynyl carboxylic acids with aryl chlorides.