Basic information
- CAS
626-16-4- Standard SMILES
ClCc1cccc(CCl)c1- InChIKey
GRJWOKACBGZOKT-UHFFFAOYSA-N- Molecular formula
- C8H8Cl2
- Average molar mass
- 175.05 g/mol
- Monoisotopic mass
- 174.00030562
Names & identifiers
- Preferred name
- Benzene, 1,3-bis(chloromethyl)-
- IUPAC
- 1,3-bis(chloromethyl)benzene
- English name
- 1,3-Bis(chloromethyl)benzene
- Molecular formula
- C8H8Cl2
- Molecular weight
- 175.06
Names & synonyms
1,3-Bis(chloromethyl)benzene626-16-4m-Xylylene dichloridealpha,alpha'-Dichloro-m-xylenem-Bis(chloromethyl)benzeneBenzene, 1,3-bis(chloromethyl)-CCRIS 1774m-Xylene, alpha,alpha'-dichloro-EINECS 210-932-1NSC 96971BRN 2079898DTXSID4060814
Show more names
m-Xylyleneoro-m-xyLm-Dichloroxylenem-DichlorobenzylTwobenzyl chlorideM-XYLYLENE CHLORIDE1,3-Bis(chloromethylPulesafu impurity 41α,α’-dichloro-m-xylene
GRJWOKACBGZOKT-UHFFFAOYSA-RefChem:5622781,3-bis(chloromethyl)-benzeneDTXCID6043412210-932-1InChI=1/C8H8Cl2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6H2Benzene, 1,3-dichloromethyl-MFCD00000912
Database identifiers
- CAS
626-16-4- PubChem CID
- 12275
- DTXSID
DTXSID4060814- UNII
- G4Y9VC52AF
- EC Number
- 210-932-1
- Nikkaji
- J1.689F
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 83.3
Experimental & physicochemical properties
SpringerMaterials PropertiesFusion temperature
Physicochemical properties
- Melting point
- 33 · 33-35 °C(lit.)
- Boiling point
- 250 · 250-255 °C(lit.)
- Density
- 1.202 g/mL · 1.202 g/mL at 25 °C(lit.)
- refractive index
- 1.5544 · 1.5544 (estimate)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- 1 g/10 · methanol: soluble1g/10 mL, clear, colorless
- form
- powder to lump to clear liquid
- color
- White or Colorless to Almost white or Almost colorless
- Water Solubility
- hydrolysis
- BRN
- 2079898 · 2079898
- InChI
- InChI=1S/C8H8Cl2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6H2
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P273, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P362+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzene, 1,3-bis(chloromethyl)-
1,3-Bis(chloromethyl)-benzene: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- F
- 19
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- ZE4070000
- ridadr
- UN 2811 6.1/PG 2
- hs_code
- 29036990
- risk_code
- 22-36/37/38-36-34
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- Xn,Xi,C
- safety_code
- 26-24/25-45-36/37/39-27
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1,3-bis(chloromethyl)-: ACTIVE
Applications
Usesm-Xylene Dichloride is used in ionic liquids to increase their thermal stability as well as used as a reagent in C2-Symmetric Small Molecule Inhibitors.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
Related reactions
35 records
Compound notes
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