m-Xylyl chloride

HCID 12102CAS 620-19-9
Substructure searchFind similar structures

Basic information

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 properties

XLogP
2.9
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
1
Heavy atoms
9

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

Safety & regulation

GHS classification

GHS Classification · 4 items

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 · 4 items

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

Chemistry & industry

Uses & manufacturing

U.S. Production2023: 50,000 - <250,000 lb
Industry UsesIntermediate
General Manufacturing Information · 2 items

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

Suppliers50 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]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
Changzhou Carman Chemical Co., Ltd.15061933924

Related reactions

29 records
New reaction record

Linked notes

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