m-Xylyl chloride
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Basic information
- CAS
620-19-9- Standard SMILES
Cc1cccc(CCl)c1- InChIKey
LZBOHNCMCCSTJX-UHFFFAOYSA-N- Molecular formula
- C8H9Cl
- Average molar mass
- 140.61 g/mol
- Monoisotopic mass
- 140.03927797
Names & identifiers
- Preferred name
- m-Xylyl chloride
- IUPAC
- 1-(chloromethyl)-3-methylbenzene
- English name
- 3-Methylbenzyl chloride
- Molecular formula
- C8H9Cl
- Molecular weight
- 140.61
Names & synonyms
3-Methylbenzyl chloride620-19-91-(chloromethyl)-3-methylbenzenem-Xylyl chloridem-Methylbenzyl chlorideALPHA-CHLORO-M-XYLENEm-(Chloromethyl)toluene3-(Chloromethyl)tolueneBenzene, 1-(chloromethyl)-3-methyl-.alpha.-Chloro-m-xylenem-Xylyl-.alpha.-chloridem-Xylyl-alpha-chloride
Show more names
MBC1-Chloromethyl-3-methylbenzeneα-chloro-m-xylene3-MBC-Chloro-m-xyleneAKOS BBS-00004023A-CHLORO-M-XYLENEà-chloro-m-xylene3-Methylbenzyl chlor
3-methylphenylmethyl chlorideNSC 765921-Methyl-3-chloromethylbenzenem-Xylene, alpha-chloro-EINECS 210-628-9NSC-76592771291VTT8M-XYLYL CHLORIDE [MI]
Database identifiers
- CAS
620-19-9- PubChem CID
- 12102
- DTXSID
DTXSID60211034- UNII
- 771291VTT8
- EC Number
- 210-628-9
- Nikkaji
- J1.671C
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 80.6
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physical DescriptionLiquid
Physicochemical properties
- Melting point
- -41.95 °C · -41.95°C (estimate)
- Boiling point
- 195 · 195-196 °C(lit.)
- Density
- 1.064 g/mL · 1.064 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.535(lit.)
- Flash point
- 168 °F · 168 °F
- storage temp.
- 2 · 2-8°C
- form
- Liquid
- color
- Clear colorless to slightly yellow
- Water Solubility
- Insoluble
- Merck
- 14 · 14,10091
- BRN
- 2040357 · 2040357
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
Danger
H302 (36.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 74 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzene, 1-(chloromethyl)-3-methyl-
Benzene, 1-(chloromethyl)-3-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1-(chloromethyl)-3-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
3-Methylbenzyl chloride: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (36.5%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 3265 8/PG 2
- hs_code
- 29036990
- risk_code
- 34-36/37-36/37/38
- Signal word
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 50,000 - <250,000 lb
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Benzene, 1-(chloromethyl)-3-methyl-: ACTIVE
Applications
UsesIntermediate.
Uses3-Methylbenzyl chloride is used as an organic light-emitting diode and as an intermediate in organic synthesis.
Upstream & downstream products
Upstream raw materials
Related reactions
29 records
Compound notes
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