2-Bromooctadecanoic acid

HCID 97917
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Basic information

CAS
142-94-9
Standard SMILES
CCCCCCCCCCCCCCCCC(Br)C(=O)O
InChIKey
KRBFFJIZAKABSA-UHFFFAOYSA-N
Molecular formula
C18H35BrO2
Average molar mass
363.4 g/mol
Monoisotopic mass
362.18204246

Overview

RN given refers to unlabeled parent cpd

Names & identifiers

Preferred name
2-Bromooctadecanoic acid
IUPAC
2-bromooctadecanoic acid
English name
2-BROMOSTEARIC ACID
Molecular formula
C18H35BrO2
Molecular weight
363.37

Names & synonyms

2-Bromostearic acid2-Bromooctadecanoic acid142-94-9Octadecanoic acid, 2-bromo-DTXSID608833312-bromostearateRefChem:467327DTXCID401022869205-573-22-bromo-octadecanoic acidMFCD00021694a-Bromostearic Acid
Show more names
C18H35BrO2BROMONUCLEIC ACID2-BROMOSTEARIC ACID, TECH.2-BROMO-OCTADECANECARBOXYLIC ACID
alpha-Bromostearic acidOctadecanoic acid,2-bromo-bromostearic acidEINECS 205-573-2NSC 58376.alpha.-Bromostearic aciddl-alpha-bromostearic acidNCIOpen2_007683

Database identifiers

CAS
142-94-9
PubChem CID
97917
DTXSID
DTXSID60883331
EC Number
205-573-2
Nikkaji
J193.638G

Properties

Computed structural properties

XLogP
8.9
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
16
Heavy atoms
21

Experimental & physicochemical properties

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

Physicochemical properties

Melting point
58 · 58-60°C
Boiling point
431 · 431.0±18.0 °C(Predicted)
Density
1.088 · 1.088±0.06 g/cm3(Predicted)
storage temp.
20 °C · −20°C
form
solid
pka
2.97 · 2.97±0.21(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

wgk
3
tsca
TSCA listed
hs_code
2915907098
risk_code
36/37/38
Signal word
Danger
Symbol(GHS)
GHS06

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationOctadecanoic acid, 2-bromo-: INACTIVE

Suppliers38 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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