Basic information
- CAS
484-65-1- Standard SMILES
Cc1c(C)c(C)c(CCl)c(C)c1C- InChIKey
CXUAEBDTJFKMBV-UHFFFAOYSA-N- Molecular formula
- C12H17Cl
- Average molar mass
- 196.71 g/mol
- Monoisotopic mass
- 196.10187822
Names & identifiers
- Preferred name
- Benzene, 1-(chloromethyl)-2,3,4,5,6-pentamethyl-
- IUPAC
- 1-(chloromethyl)-2,3,4,5,6-pentamethylbenzene
- English name
- 2,3,4,5,6-Pentamethylbenzyl chloride
- Molecular formula
- C12H17Cl
- Molecular weight
- 196.72
Names & synonyms
2,3,4,5,6-Pentamethylbenzyl chloride484-65-1Pentamethylbenzyl chlorideBenzene, (chloromethyl)pentamethyl-(Chloromethyl)pentamethylbenzeneBenzene, 1-(chloromethyl)-2,3,4,5,6-pentamethyl-EINECS 207-608-7NSC 98359DTXSID0060066RefChem:562377DTXCID0040620207-608-7
Show more names
Pentamethylbenzyl chloride,97%2,3,4,6-Pentamethylbenzyl chloride2,3,4,5,6-PentamethylbenzylChloride>2,3,4,5,6-Pentamethylbenzyl chloride 98%2,3,4,5,6-PENTAMETHYLBENZYL CHLORIDE, 98+%2,3,4,5,6-Pentamethylbenzyl chloride, GC 95+%
1-(Chloromethyl)-2,3,4,5,6-pentamethylbenzene2,3,4,5,6-PENTAMETHYLBENZYLCHLORIDEMFCD0000090029A2Z83GHU23456-Pentamethylbenzyl ChlorideNSC-98359NCIOpen2_001846UNII-29A2Z83GHU
Database identifiers
- CAS
484-65-1- PubChem CID
- 68087
- DTXSID
DTXSID0060066- UNII
- 29A2Z83GHU
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 151
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 80 · 80-85 °C
- Boiling point
- 140 · 140-142°C 0,8mm
- Density
- 0.9799 · 0.9799 (estimate)
- refractive index
- 1.522 · 1.5220 (estimate)
- Flash point
- 140 · 140-142°C/0.8mm
- form
- powder to crystal
- color
- White to Light yellow
- Sensitive
- Lachrymatory
- BRN
- 1943690 · 1943690
- CAS DataBase Reference
- 484 · 484-65-1(CAS DataBase Reference)
- FDA UNII
- 29 A2Z83GHU · 29A2Z83GHU
- EPA Substance Registry System
- Benzene, (chloromethyl)pentamethyl- (484-65-1)
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
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationBenzene, (chloromethyl)pentamethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- tsca
- TSCA listed
- ridadr
- 3261
- hs_code
- 2903998090
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi,C
- hazard_note
- Corrosive/Lachrymatory
- safety_code
- 37/39-26
- hazard_class
- 8
- packing_group
- II
- Hazard statements
- H318-H290-H314
- Precautionary statements
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1-(chloromethyl)-2,3,4,5,6-pentamethyl-: INACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers30 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]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Related reactions
4 records
Compound notes
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