CAS 28598-81-4 Disodium acetylide (HCID 560317)

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Basic information

CAS: 28598-81-4
Standard SMILES: CCOC(=O)CCCCCCCCBr
InChIKey: KXZBPLOPBKIUTC-UHFFFAOYSA-N
Molecular formula: C11H21BrO2
Average molar mass: 265.19 g/mol
Monoisotopic mass: 264.07249201

Names & identifiers

Preferred name: Disodium acetylide
IUPAC: ethyl 9-bromononanoate
English name: Ethyl 9-bromononanoate
Molecular formula: C11H21BrO2
Molecular weight: 265.19

Names & synonyms

Ethyl 9-bromononanoate28598-81-4Nonanoic acid, 9-bromo-, ethyl ester2881-62-1DTXSID90951456Disodium acetylidedisodium ethynediideRefChem:589441CHEBI:55388DTXCID901379574EINECS 220-732-6220-732-6

Show more names

Ethyl 9-Bromononanoate >9-BROMONONANOIC ACID ETHYL ESTERETHYL 9-BROMONONANOATE ISO 9001：2015 REACH

678-093-8926-337-1MFCD067970659-Bromo-nonanoic acid ethyl ester9-Bromononanoic acid, ethyl esterAKOS022184013SY054080Ethyl 9-bromononanoate #

Database identifiers

CAS: 28598-81-4、2881-62-1
PubChem CID: 560317
DTXSID: DTXSID90951456
UNII: PS9V6ZS5AX
EC Number: 220-732-6、678-093-8、926-337-1

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 10
Heavy atoms: 14
Formal charge: 0
Complexity: 137

Experimental & physicochemical properties

Chemical ClassesMetals -> Metals, Inorganic Compounds

Physicochemical properties

Boiling point: 180 °C · 180 °C / 30mmHg
Density: 1.17 · 1.17
refractive index: 1.459 · 1.4590-1.4630
storage temp.: Sealed in dry,Room Temperature
form: clear liquid
color: Colorless to Light yellow to Light orange
InChI: InChI=1S/C11H21BrO2/c1-2-14-11(13)9-7-5-3-4-6-8-10-12/h2-10H2,1H3
InChIKey: KXZBPLOPBKIUTC-UHFFFAOYSA-N
SMILES: C(OCC)(=O)CCCCCCCCBr
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazards SummarySee Sodium acetylide. See CARBIDES.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2915.60.5000
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313