1-Chloro-4-(chloromethyl)-2-methylbenzene
Basic information
- CAS
92304-76-2- Standard SMILES
Cc1cc(CCl)ccc1Cl- InChIKey
BNINSXCMJBCDPZ-UHFFFAOYSA-N- Molecular formula
- C8H8Cl2
- Average molar mass
- 175.05 g/mol
- Monoisotopic mass
- 174.0003056
Names & identifiers
- Preferred name
- 1-Chloro-4-(chloromethyl)-2-methylbenzene
- IUPAC
- 1-chloro-4-(chloromethyl)-2-methylbenzene
- English name
- 1-chloro-4-(chloromethyl)-2-methylbenzene
- Molecular formula
- C8H8Cl2
- Molecular weight
- 175.06
Names & synonyms
1-chloro-4-(chloromethyl)-2-methylbenzene92304-76-2RefChem:431378807-902-04-Chloro-3-methylbenzyl chlorideMFCD11846567Benzene, 2-chloro-5-(chloromethyl)-1-methylBenzene, 1-chloro-4-(chloromethyl)-2-methyl-2-chloro-5-chloroMethyltolueneSCHEMBL1291043BNINSXCMJBCDPZ-UHFFFAOYSA-NDTXSID601377086
Show more names
4-Chloro-3-Methylbenzoyl chloride
SDA30476AKOS022957612BS-53077DB-3580541-chloro-4-(chloromethyl)-2-methyl-benzeneE78683EN300-1082010F849468
Database identifiers
- CAS
92304-76-2- PubChem CID
- 524342
- DTXSID
DTXSID601377086- EC Number
- 807-902-0
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 103
Physicochemical properties
- Boiling point
- 99 °C · 99 °C(Press: 6 Torr)
- Density
- 1.204 · 1.204±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H290
- Precautionary statements
- 501 · P501-P260-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405
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
H225 (50%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P370+P378, P403+P233, P403+P235, 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 CategoriesFlam. Liq. 2 (50%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H314-H290
- Precautionary statements
- P501-P260-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405
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Related reactions
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Compound notes
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