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Neophyl chloride

Neophyl chloride structure

CAS No:
515-40-2
Formula:
C10H13Cl
Chemical Name:
Neophyl chloride
Synonyms:
Benzene,(2-chloro-1,1-dimethylethyl)-;(2-Chloro-1,1-dimethylethyl)benzene;(β-Chloro-tert-butyl)benzene;(β-Chloro-α,α-dimethyl)ethylbenzene;1-Chloro-2-methyl-2-phenylpropane;Neophyl chloride;β,β-Dimethylphenethyl chloride;2-Methyl-2-phenylpropyl chloride;NSC 54159;NSC 923;(1,1-Dimethyl-2-chloroethyl)benzene;(1-Chloro-2-methylpropan-2-yl)benzene
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

clear colorless to slighlty yellow liquid

Neophyl chloride Basic Attributes

Molecular Weight：

168.66

Exact Mass：

168.66

BRN：

2042085

EC Number：

208-197-7

UNII：

OF6E0410NF

NSC Number：

54159|923

DSSTox ID：

DTXSID8027167

HScode：

29036990

Characteristics

PSA：

XLogP3：

3.57

Appearance：

Clear colorless to slightly yellow Liquid

Density：

1.047 g/cm³ @ Temp: 20 °C

Melting Point：

54.5-55 °C

Boiling Point：

223 °C

Flash Point：

198 °F

Refractive Index：

1.503

Water Solubility：

H2O: insoluble

Storage Conditions：

Store below +30°C.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Stability/Shelf Life：

Stable at room temperature in closed containers under normal storage and handling conditions.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 47 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Neophyl chloride Use and Manufacturing

Methods of Manufacturing

Chloro-tert-butylbenzene is made from benzene and 2-methyl-3-chloropropene as raw materials. Add 142kg of 2-methyl-3-chloropropene and 365kg of benzene into a 1000L enamel reactor, add 180kg of sulfuric acid under stirring, react at room temperature for 4-6 hours, and let stand to remove waste acid. The benzene layer is washed with water until it is neutral, and benzene is recovered by distillation under normal pressure, and the product is received by 94-96°C/1.33kPa under reduced pressure.

Uses

It is mainly used for the synthesis of Phenyltin, and it can also be used as an intermediate for medicine, spices, etc.

Manufacturing Info：

Benzene, (2-chloro-1,1-dimethylethyl)-: ACTIVE|T - indicates a substance that is the subject of a final TSCA section 4 test rule.

Computed Properties

Molecular Weight:168.66
XLogP3:4.2
Rotatable Bond Count:2
Exact Mass:168.0705781
Monoisotopic Mass:168.0705781
Heavy Atom Count:11
Complexity:112
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of Neophyl chloride

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Neophyl chloride

CAS No.: 515-40-2

Grade: Industrial Grade

Content: 99%

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