Undecanoyl chloride, 11-bromo-

HCID 85202CAS 15949-84-5

Substructure search Find similar structures

Basic information

Standard SMILES: O=C(Cl)CCCCCCCCCCBr
InChIKey: QWHOIFRYXGBPRO-UHFFFAOYSA-N
Molecular formula: C11H20BrClO
Average molar mass: 283.63 g/mol
Monoisotopic mass: 282.03860504

Names & identifiers

Preferred name: Undecanoyl chloride, 11-bromo-
IUPAC: 11-bromoundecanoyl chloride
English name: 11-bromoundecanoyl chloride
Molecular formula: C11H20BrClO
Molecular weight: 283.63

Names & synonyms

11-Bromoundecanoyl chlorideUndecanoyl chloride, 11-bromo-EINECS 240-082-7DTXSID6065975RefChem:193093Undecanoyl chloride, 11bromoDTXCID8035130240-082-715949-84-511-bromo-undecanoyl chloride11-bromoundecanoic acid chlorideMFCD00013658

Show more names

11-BROMOUNDECANOYLCHLORIDEC11H20BrClO11-bromo undecanoyl chlorideSCHEMBL34702311- bromoundecanoic acid chloride7RD9K54G92NS00025192H39506

Database identifiers

CAS: 15949-84-5
PubChem CID: 85202
DTXSID: DTXSID6065975
UNII: 7RD9K54G92
EC Number: 240-082-7
Nikkaji: J26.732E

Properties

Computed structural properties

XLogP: 5.2
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 10
Heavy atoms: 14
Formal charge: 0
Complexity: 139

Experimental & physicochemical properties

Chemical ClassesToxic Gases & Vapors -> Acid Halides

Physicochemical properties

Boiling point: 176 · 176-178 °C(Press: 1 Torr)
Density: 1.223 · 1.223±0.06 g/cm3(Predicted)
EPA Substance Registry System: 11 · Undecanoyl chloride, 11-bromo- (15949-84-5)
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H314-H318-H333-H335
Precautionary statements: 231 · P231+P232-P233-P260-P280-P301+P312-P301+P330+P331-P302+P352-P304+P340-P305+P351+P338-P310-P362-P403+P233
RIDADR: 3265 · UN3265
TSCA: TSCA listed
HazardClass: 8 · 8
Limited Quantities: 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

Hazard information

Regulatory Information · 2 items

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Undecanoyl chloride, 11-bromo-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummarySee Sebacoyl chloride.

Toxicology

Adverse EffectsDermatotoxin - Skin burns.

Safety data

tsca: TSCA listed
ridadr: UN3265
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_class: 8
Hazard statements: H302-H314-H318-H333-H335
Limited Quantities: 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Precautionary statements: P231+P232-P233-P260-P280-P301+P312-P301+P330+P331-P302+P352-P304+P340-P305+P351+P338-P310-P362-P403+P233