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1-Bromohexane

1-Bromohexane structure

CAS No:
111-25-1
Formula:
C6H13Br
Chemical Name:
1-Bromohexane
Synonyms:
Hexane,1-bromo-;1-Bromohexane;Hexyl bromide;n-Hexyl bromide;1-Hexylbromide;1-Hexane bromide;NSC 71206
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

colourless liquid

1-Bromohexane Basic Attributes

Molecular Weight：

165.074

Exact Mass：

165.07

EC Number：

203-850-2

UNII：

WVA0FAX7GA

NSC Number：

71206

DSSTox ID：

DTXSID4021929

HScode：

29033036

Characteristics

PSA：

XLogP3：

3.81

Appearance：

Clear or buff liquid

Density：

1.1852 g/cm³ @ Temp: 19 °C

Melting Point：

-84.7 °C

Boiling Point：

155.3 °C

Flash Point：

135 °F

Refractive Index：

n 20/D 1.448(lit.)

Water Solubility：

H2O: <1g/l

Storage Conditions：

Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Flammables-area.

Vapor Pressure：

<10 mm Hg ( 20 °C)

Vapor Density：

5.7 (vs air)

Toxicity：

LD50 orally in Rabbit: > 2000 mg/kg

OH：

5.85e-12 cm3/molecule*sec

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 1993 3/PG 3

wgk germany：

hazard class code：

R10;R36/37/38

safety instructions：

26-36-16

RTECS Number：

MO0925000

Marks：

Stability/Shelf Life：

Stable. Incompatible with strong oxidizing agents, strong bases. Combustible.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H226-H315-H319-H335

GHS Classification：

|Warning|H226 (98.88%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P391, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 89 companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1-bromohexane

1-Bromohexane Use and Manufacturing

Uses

Intermediate, for introduction of hexyl group.

Intermediates

Manufacturing Info：

Pharmaceutical and medicine manufacturing|Hexane, 1-bromo-: ACTIVE

Computed Properties

Molecular Weight:165.07
XLogP3:3.8
Rotatable Bond Count:4
Exact Mass:164.02006
Monoisotopic Mass:164.02006
Heavy Atom Count:7
Complexity:27.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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