1-(Chloromethyl)-4-(dichloromethyl)benzene
Basic information
- CAS
7398-44-9- Standard SMILES
ClCc1ccc(C(Cl)Cl)cc1- InChIKey
VQJFMEVGEQWOFW-UHFFFAOYSA-N- Molecular formula
- C8H7Cl3
- Average molar mass
- 209.5 g/mol
- Monoisotopic mass
- 207.961333
Names & identifiers
- Preferred name
- 1-(Chloromethyl)-4-(dichloromethyl)benzene
- IUPAC
- 1-(chloromethyl)-4-(dichloromethyl)benzene
- English name
- 1-(chloromethyl)-4-(dichloromethyl)benzene
- Molecular formula
- C8H7Cl3
- Molecular weight
- 209.5
Names & synonyms
7398-44-91-(Chloromethyl)-4-(dichloromethyl)benzeneEINECS 230-992-2DTXSID20224741RefChem:74653DTXCID50147232230-992-24-Dichloromethylbenzyl chlorideMFCD184309154-(Dichloromethyl)benzyl chloride9C89FK3LWLSCHEMBL5655554
Show more names
Valine Impurity 131Pulesafu impurity 46Plerixafor Impurity 461-Dichloromethyl-4-chloromethylbenzeneBenzene, 1-(chloromethyl)-4-(dichloromethyl)-1-(Chloromethyl)-4-(dichloromethyl)benzene in isooctane
VQJFMEVGEQWOFW-UHFFFAOYSA-NCL9279alpha,alpha,alpha'-Trichloro-p-xyleneAKOS037644141p-Xylene, alpha,alpha,alpha'-trichloro-AS-46275DB-190634CS-0455320
Database identifiers
- CAS
7398-44-9- PubChem CID
- 81883
- DTXSID
DTXSID20224741- UNII
- 9C89FK3LWL
- EC Number
- 230-992-2
- Nikkaji
- J31.711J
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 106
Physicochemical properties
- Melting point
- 72 · 72-73 °C
- Boiling point
- 155 · 155-158 °C(Press: 20 Torr)
- Density
- 1.334 · 1.334±0.06 g/cm3(Predicted)
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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