3,5-Dimethylchlorobenzene

HCID 32887

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Basic information

CAS: 556-97-8
Standard SMILES: Cc1cc(C)cc(Cl)c1
InChIKey: FKKLHLZFSZGXBN-UHFFFAOYSA-N
Molecular formula: C8H9Cl
Average molar mass: 140.61 g/mol
Monoisotopic mass: 140.03927797

Names & identifiers

Preferred name: 3,5-Dimethylchlorobenzene
IUPAC: 1-chloro-3,5-dimethylbenzene
English name: 5-Chloro-m-xylene
Molecular formula: C8H9Cl
Molecular weight: 140.61

Names & synonyms

5-Chloro-m-xylene556-97-81-chloro-3,5-dimethylbenzene3,5-Dimethylchlorobenzene5-Chloro-1,3-xyleneBenzene, 1-chloro-3,5-dimethyl-1-Chloro-3,5-xylenem-Xylene, 5-chloro-4Z6HOG6ICU3,5-Dimethylphenyl chlorideBRN 2039352DTXSID60204143

Show more names

5-chloro-m-xylen_x000D_5-Chloro-m-xylene3,5-dimethylphenylchloride3,5-Dimethyl-1-chlorobenzene1,3-Dimethyl-5-chlorobenzene

3-05-00-00834 (Beilstein Handbook Reference)RefChem:487024DTXCID60126634Benzene, 1-chloro-3,5-dimethyl-(9CI)673-991-6MFCD000602731-chloro-3,5-dimethyl-benzeneUNII-4Z6HOG6ICU

Database identifiers

CAS: 556-97-8
PubChem CID: 32887
DTXSID: DTXSID60204143
UNII: 4Z6HOG6ICU
EC Number: 673-991-6
Nikkaji: J107.268D

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 80.6

Physicochemical properties

Melting point: -41.95 °C · -41.95°C (estimate)
Boiling point: 187 °C · 187 °C
Density: 1 · 1,04 g/cm3
refractive index: 1.5275 · 1.5275 (estimate)
storage temp.: 2 · 2-8°C
form: liquid
color: CLEAR YELLOW
Specific Gravity: 1.04 · 1.04
CAS DataBase Reference: 556 · 556-97-8(CAS DataBase Reference)
FDA UNII: 4 Z6HOG6ICU · 4Z6HOG6ICU
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 280 · P280-P261
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39-36
HazardClass: IRRITANT
HS Code: 2903998090 · 2903998090

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 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 CategoriesSkin Irrit. 2 (100%)

Safety data

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
Hazard statements: H315-H319-H335
Precautionary statements: P280-P261

Chemistry & industry

Applications

Uses3,5-Dimethylchlorobenzene can be used as an intermediate in the synthesis of other compounds and has been shown to be effective in the synthesis of tetrafluoroboric acid, sodium nitrite and palladium chloride.