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2-Bromohexanoic acid

2-Bromohexanoic acid structure

CAS No:
616-05-7
Formula:
C6H11BrO2
Chemical Name:
2-Bromohexanoic acid
Synonyms:
Hexanoic acid,2-bromo-;2-Bromohexanoic acid;α-Bromocaproic acid;α-Bromo-n-caproic acid;2-Bromocaproic acid;α-Bromohexanoic acid;DL-α-Bromocaproic acid;(±)-α-Bromohexanoic acid;(±)-2-Bromocapronic acid;(±)-2-Bromohexanoic acid;NSC 73987;2681-83-6
Categories:
Chemical Reagents > Organic Reagents

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Description

clear light brown to brown liquid

2-Bromohexanoic acid Basic Attributes

Molecular Weight：

195.05

Exact Mass：

195.05

EC Number：

210-461-1

NSC Number：

73987

HScode：

29159000

Characteristics

PSA：

37.3

XLogP3：

2.4

Appearance：

colorless or light yellow liquid

Density：

1.4±0.1 g/cm3

Melting Point：

<25 °C

Boiling Point：

240 °C

Flash Point：

104.1±19.8 °C

Refractive Index：

1.488

Water Solubility：

soluble

Storage Conditions：

Store in a cool, dry place. Keep container closed when not in use. Corrosives area.

Safety Information

Packing level：

Ⅱ

Hazard category：

Transport codes：

3265

wgk germany：

hazard class code：

safety instructions：

S26-S36/37/39-S45

Marks：

C:Corrosive;

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P280-P305 + P351 + P338-P310

Hazard Statements：

H302 + H312 + H332-H314

GHS Classification：

|Danger|H302 (89.47%): Harmful if swallowed [Warning Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P309+P311, P310, P312, P321, P322, P330, P363, P405, and P501|Aggregated GHS information provided by 57 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-Bromohexanoic acid Use and Manufacturing

Manufacturing Info：

Hexanoic acid, 2-bromo-: ACTIVE

Computed Properties

Molecular Weight:195.05
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:193.99424
Monoisotopic Mass:193.99424
Topological Polar Surface Area:37.3
Heavy Atom Count:9
Complexity:93.1
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 616-05-7

Grade: Pharmaceutical Grade

Content: 99%

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