CAS 1575-61-7 5-Chlorovaleryl chloride (HCID 74089)

Overview

an alkylating agent; structure in first source

Names & identifiers

Preferred name: 5-Chlorovaleryl chloride
IUPAC: 5-chloropentanoyl chloride
English name: 5-Chlorovaleryl chloride
Molecular formula: C5H8Cl2O
Molecular weight: 155.02

Names & synonyms

5-Chlorovaleryl chloride1575-61-7Valeryl chloride, 5-chloro-DTXSID601662725-CVC cpdRefChem:102413DTXCID4088763216-403-15-Chloropentanoyl chloride5-Chlorovaleroyl chloridePentanoyl chloride, 5-chloro-5-Chlorovalerylchloride

Show more names

5-ChlorvalerylchloridorovaL5-Chlorovaleryl5-Cl-valeryl ClApixaban Impurity 565-chloro aMyl chloride5 - chlorine e chloride5-chloro-valerylchlorid

MFCD000007585-chlorovaleric acid chloride5-chloro-pentanoyl chlorideNSC-84182EINECS 216-403-1NSC 84182BRN 1745182chlorovaleryl chloride

Database identifiers

CAS: 1575-61-7
PubChem CID: 74089
DTXSID: DTXSID60166272
UNII: MA49NLR6V9
EC Number: 216-403-1
Nikkaji: J40.784D

Properties

Computed structural properties

XLogP: 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: 72.8

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

Physicochemical properties

Boiling point: 38 · 38-39 °C0.15 mm Hg(lit.)
Density: 1.206 g/mL · 1.206 g/mL at 20 °C
refractive index: 20 · n20/D 1.464(lit.)
Flash point: 195 °F · 195 °F
storage temp.: 30 °C · Store below +30°C.
solubility: Acetonitrile (Slightly), Chloroform (Sparingly)
form: Liquid
color: Clear colorless to slightly yellow
Specific Gravity: 1.2 · 1.200
PH: 7 · <7 (H2O, 20℃)
explosive limit: 2 · 2.0-10.2%(V)
Water Solubility: reacts
Sensitive: Moisture Sensitive
BRN: 1745182 · 1745182
Stability: Corrosive, Moisture Sensitive
InChI: 1S/C5H8Cl2O/c6-4-2-1-3-5(7)8/h1-4H2
InChIKey: SVNNWKWHLOJLOK-UHFFFAOYSA-N
SMILES: ClCCCCC(Cl)=O
CAS DataBase Reference: 1575 · 1575-61-7(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H314
Precautionary statements: 270 · P270-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C,T
Risk Statements: 22 · 22-34-23-23/34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 3265 · UN 3265 8/PG 2
WGK Germany: 1 · 1
RTECS: 9108000 · YV9108000
F: 10 · 10-19-21
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29159000 · 29159000
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 4 OralSkin · Acute Tox. 4 OralSkin Corr. 1B
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

H290 (72.9%): May be corrosive to metals [Warning Corrosive to Metals]

P234, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P390, P403+P233, P405, P406, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 155 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 11-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11585

Hazard Classes and CategoriesMet. Corr. 1 (72.9%)

Safety data

F: 10-19-21
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 1
rtecs: YV9108000
ridadr: UN 3265 8/PG 2
hs_code: 29159000
risk_code: 22-34-23-23/34
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: C,T
safety_code: 26-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: III
Hazard statements: H302-H314
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: Acute Tox. 4 OralSkin Corr. 1B
Precautionary statements: P270-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338

Chemistry & industry

Applications · 3 items

Description5-Chlorovaleryl chloride is an important synthetic intermediate of pyrazole herbicides. 5-Chloropentanoyl chloride is used as the raw material of 1,1,7-trichloro-1-hepten-3-one, and then the third-generation pyrazole herbicides can be synthesized. Pyrazole herbicides have the characteristics of ultra-efficient herbicidal activity, high selectivity, extremely low mammalian toxicity and good environmental characteristics, and have become a hot spot in the research and development of herbicides in the world in recent years.

Uses5-Chlorovaleroyl chloride (5-CVC) has been used in the development and validation of a GC-FID method for the analysis of low level impurities present in 5-CVC. It has been used in the synthesis of anion-exchange resins by acylation of polystyrene/divinylbenzene and subsequent amination with trimethylamine. It is commonly used as alkylating agent in the synthesis of pharmaceutical intermediates and other specialty chemicals.

General Description5-Chlorovaleroyl chloride is commonly used as alkylating agent in the synthesis of pharmaceutical intermediates and other specialty chemicals.