CAS 4509-90-4 5-Bromovaleryl chloride (HCID 521173)

Names & identifiers

Preferred name: 5-Bromovaleryl chloride
IUPAC: 5-bromopentanoyl chloride
English name: 5-Bromovaleryl chloride
Molecular formula: C5H8BrClO
Molecular weight: 199.47

Names & synonyms

5-Bromovaleryl chloride4509-90-4DTXSID40334573RefChem:1072748DTXCID502856635-Bromopentanoyl chloride5-Bromovaleroyl Chloride5-Bromovalerylchloride5-bromovaleric acid chloride5-bromo-pentanoyl chloridebromovalerylchlorideMFCD00013660

Show more names

TECO-0045-broMo-aMyl chloride5-BroMobalery chloride5-BromovalericChloride5-Bromovalery chloride5-BromovaIeryI Chloride5-Bromovaleryl chloride,98%

5-bromovaleric chlorideSCHEMBL50102AKOS006222732B2059H11319bromovaleryl cbromovaleryl chlorideAM85775

Database identifiers

CAS: 4509-90-4
PubChem CID: 521173
DTXSID: DTXSID40334573
UNII: X9K7ZM48B5
EC Number: 629-364-4
Nikkaji: J1.228.757G

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 8
Formal charge: 0
Complexity: 74.8

Physicochemical properties

Boiling point: 116 · 116-118 °C/33 mmHg (lit.)
Density: 1.49 g/mL · 1.49 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.492(lit.)
Flash point: 225 °F · 225 °F
storage temp.: -20 °C, · -20°C, sealed storage, away from moisture
form: clear liquid
color: Colorless to Light yellow to Light orange
Specific Gravity: 1.49 · 1.49
Water Solubility: Reacts with water.
Sensitive: Moisture Sensitive/Lachrymatory
InChI: InChI=1S/C5H8BrClO/c6-4-2-1-3-5(7)8/h1-4H2
InChIKey: OKRUMSWHDWKGHA-UHFFFAOYSA-N
SMILES: C(Cl)(=O)CCCCBr
CAS DataBase Reference: 4509 · 4509-90-4(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 314 · H314-H335
Precautionary statements: 261 · P261-P271-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
target organs: Respiratory system
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 34 · 34-36/37
Safety Statements: 26 · 26-27-28-36/37/39-45
RIDADR: 3265 · UN 3265 8/PG 2
WGK Germany: 3 · 3
Hazard Note: Harmful/Corrosive/Lachrymatory/Moisture Sensitive
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29159000 · 29159000
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Corr. 1BSTOT SE 3
REACH Registrations: Active
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

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P337+P317, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 54 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 07-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/28160

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 3265 8/PG 2
hs_code: 29159000
risk_code: 34-36/37
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: C
hazard_note: Harmful/Corrosive/Lachrymatory/Moisture Sensitive
safety_code: 26-27-28-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: II
target organs: Respiratory system
Hazard statements: H314-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)
REACH Registrations: Active
Hazard Classifications: Eye Irrit. 2Skin Corr. 1BSTOT SE 3
Precautionary statements: P261-P271-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338

Chemistry & industry

Applications · 2 items

Description5-Bromovaleryl chloride is a chemical compound that functions as an acylating agent in organic synthesis. It is used to introduce the 5-bromovaleryl group into various organic molecules, allowing for the modification of their chemical properties. The mode of action of 5-Bromovaleryl chloride involves the substitution of the hydroxyl group in organic compounds with the 5-bromovaleryl group, leading to the formation of new chemical bonds. This process can be utilized to create novel compounds with specific functional groups for further study and analysis.

Uses5-Bromovaleryl chloride was used in the preparation of aromatic azides and organic gelators.