CAS 10520-81-7 2-Bromomyristic acid (HCID 66340)

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Basic information

CAS: 10520-81-7
Standard SMILES: CCCCCCCCCCCCC(Br)C(=O)O
InChIKey: GBBKJNDQLLKTCX-UHFFFAOYSA-N
Molecular formula: C14H27BrO2
Average molar mass: 307.27 g/mol
Monoisotopic mass: 306.1194422

Overview

structure in first source

Names & identifiers

Preferred name: 2-Bromomyristic acid
IUPAC: 2-bromotetradecanoic acid
English name: 2-Bromotetradecanoic acid
Molecular formula: C14H27BrO2
Molecular weight: 307.27

Names & synonyms

2-Bromomyristic acidbromomyristic AcidRefChem:859092-Bromotetradecanoic acid10520-81-7Tetradecanoic acid, 2-bromo-135312-82-22-Bromotetradecanoicacid.alpha.-Bromomyristic acidalpha-Bromomyristic acidMFCD00004214EINECS 234-063-2

Show more names

A-BROMOMYRISTIC ACID2-Bromomuyristic acidBromotetradecanoic acid

NSC 58380starbld0004012NCIOpen2_007763SCHEMBL24967732-Bromotetradecanoic acid, 98%DTXSID60884484NSC58380alpha-BROMOMYRISTIC ACID, 90%

Database identifiers

CAS: 10520-81-7、135312-82-2
PubChem CID: 66340
DTXSID: DTXSID60884484
EC Number: 234-063-2、681-138-4
Nikkaji: J212.448C

Properties

Computed structural properties

XLogP: 6.7
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 12
Heavy atoms: 17
Formal charge: 0
Complexity: 183

Physicochemical properties

Melting point: 28 °C · 28 °C
Boiling point: 215 °C · 215 °C(Press: 15 Torr)
Density: 1.147 · 1.147±0.06 g/cm3(Predicted)
pka: 2.97 · 2.97±0.21(Predicted)
EWG's Food Scores: 1 · 1
EPA Substance Registry System: 2 · 2-Bromomyristic acid (10520-81-7)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
TSCA: TSCA listed

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 42 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationTetradecanoic acid, 2-bromo-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)