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11-Bromoundecanoic acid

11-Bromoundecanoic acid structure

CAS No:
2834-05-1
Formula:
C11H21BrO2
Chemical Name:
11-Bromoundecanoic acid
Synonyms:
Undecanoic acid,11-bromo-;11-Bromoundecanoic acid;ω-Bromoundecanoic acid;NSC 14781
Categories:
Active Pharmaceutical Ingredients > Other Chemical Drugs

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Description

faintly beige crystalline solid

11-bromo-undecanoic acid is a medium-chain fatty acid.

11-Bromoundecanoic acid Basic Attributes

Molecular Weight：

265.187

Exact Mass：

265.19

EC Number：

220-602-9

NSC Number：

14781

DSSTox ID：

DTXSID8062658

HScode：

2915900090

Characteristics

PSA：

37.30000

XLogP3：

4.5

Density：

1.2±0.1 g/cm3

Melting Point：

57 °C

Boiling Point：

173-174 °C @ Press: 2 Torr

Flash Point：

167.6±20.4 °C

Refractive Index：

1.484

Water Solubility：

insoluble

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S37/39

Marks：

Xi:Irritant;

Stability/Shelf Life：

Stable. Incompatible with bases, oxidizing agents, reducing agents.

Precautionary statement(s)：

P261, P264, P270, P271, P272, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P391, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (42.86%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P272, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P391, P403+P233, P405, and P501|Aggregated GHS information provided by 7 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

11-Bromoundecanoic acid Use and Manufacturing

Manufacturing Info：

Undecanoic acid, 11-bromo-: ACTIVE

Use Classification：

Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Halogenated fatty acids [FA0109]

Computed Properties

Molecular Weight:265.19
XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:10
Exact Mass:264.07249
Monoisotopic Mass:264.07249
Topological Polar Surface Area:37.3
Heavy Atom Count:14
Complexity:137
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Toluene

Phosphorus tribromide

PETROLEUM ETHER

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