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Crotyl chloride

Crotyl chloride structure

CAS No:
591-97-9
Formula:
C4H7Cl
Chemical Name:
Crotyl chloride
Synonyms:
2-Butene,1-chloro-;1-Chloro-2-butene;α-Chloro-β-butylene;Crotyl chloride;γ-Methallyl chloride;γ-Methylallyl chloride;2-Butenyl chloride;2-Buten-1-yl chloride
Categories:
Chemical Reagents > Organic Reagents

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Description

colourless liquid

Crotyl chloride Basic Attributes

Molecular Weight：

90.55

Exact Mass：

90.55

EC Number：

209-739-5

DSSTox ID：

DTXSID5052258

HScode：

2903299090

Characteristics

PSA：

0.00000

XLogP3：

2.17

Appearance：

Colorless liquid Assay 60% Water 1.

Density：

0.93764 g/cm³ @ Temp: 20 °C

Melting Point：

-65°C

Boiling Point：

73 °C

Flash Point：

-12°C

Refractive Index：

1.426

Water Solubility：

water: soluble 14g/L at 20°C

Storage Conditions：

0-6°C

Vapor Pressure：

68.99 mmHg

Flammability characteristics：

Inflammable in case of open flame, high temperature and oxidant; decomposes toxic chloride gas in case of heat

Safety Information

Packing level：

I; II; III

Hazard category：

Transport codes：

UN 2924 3/PG 2

wgk germany：

hazard class code：

11-22-34-43

safety instructions：

16-26-36/37/39-45

RTECS Number：

EM4264000

Marks：

F,C

Storage features：

Storehouse ventilated at low temperature and dry; stored separately from oxidants and acids; should not be stored for a long time to prevent polymerization

Explosive characteristics：

Explosive when mixed with air

Stability/Shelf Life：

Stable. Highly flammable. Incompatible with strong oxidizing agents.

Fire Hazards：

Flammable - 3rd degree, Reactive - 1st degree

GHS Classification：

|Danger|H225 (86.13%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P234, P240, P241, P242, P243, P260, P261, P264, P270, P271, P272, P273, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P333+P313, P362, P363, P370+P378, P390, P403+P235, P404, P405, and P501|Aggregated GHS information provided by 238 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1-chloro-2-butene

Crotyl chloride Use and Manufacturing

Methods of Manufacturing

Co-heated 1, 1-dichlorobutane, butanol and potassium hydroxide solution to obtain a mixture of cis and trans.

Uses

Organic Synthesis.

Manufacturing Info：

2-Butene, 1-chloro-: ACTIVE

Use Classification：

Fire Hazards -> Flammable - 3rd degree, Reactive - 1st degree

Computed Properties

Molecular Weight:90.55
XLogP3:1.7
Rotatable Bond Count:1
Exact Mass:90.0236279
Monoisotopic Mass:90.0236279
Heavy Atom Count:5
Complexity:30.6
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

1,3-Butadiene

2-Buten-1-ol

Acetic acid

Hydrochloric acid