1-Pyrrolidinecarbonyl chloride (HCID 70937)

Names & identifiers

Preferred name: 1-Pyrrolidinecarbonyl chloride
IUPAC: pyrrolidine-1-carbonyl chloride
English name: 1-PYRROLIDINECARBONYL CHLORIDE
Molecular formula: C5H8ClNO
Molecular weight: 133.58

Names & synonyms

1-Pyrrolidinecarbonyl chloride1192-63-8EINECS 214-758-7DTXSID9061596RefChem:77207DTXCID7033494XACWJIQLDLUFSR-UHFFFAOYSA-Npyrrolidine-1-carbonyl chloride1-Pyrrolidinecarbonylchloride1-pyrrolidinylcarbonyl chlorideMFCD00051321pyrrolidinecarbonyl chloride

Show more names

SKL12061-Pyrrolidinecarbonyl chloride,99%1-Pyrrolidinecarbonyl chloride 97%(pyrrolidin-1-yl)carbonylchloranuide1-Pyrrolidinecarboxylic acid chloridePyrrolidine-1-carboxylic acid chloride1-Pyrrolidinecarbonyl chloride, GC 99%

pyrrolidine-1-carbonylchloride1-pyrrolidine carbonyl chloridepyrrolidinocarbonyl chloride1pyrrolidinecarbonyl chloridepyrrolidine carbonyl chlorideFE96J4NEA61-pyrrolidine carbonylchlorideSCHEMBL134037

Database identifiers

CAS: 1192-63-8
PubChem CID: 70937
DTXSID: DTXSID9061596
UNII: FE96J4NEA6
EC Number: 214-758-7
Nikkaji: J203.458A

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 98.6

Physicochemical properties

Boiling point: 104 · 104-106 °C/14 mmHg (lit.)
Density: 1.209 g/mL · 1.209 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.493(lit.)
Flash point: 208 °F · 208 °F
storage temp.: -20 °C · -20°C
form: Liquid
pka: -1.85 · -1.85±0.20(Predicted)
color: Clear colorless to light yellow
Water Solubility: It reacts with water.
Sensitive: Moisture Sensitive
BRN: 110281 · 110281
InChI: 1S/C5H8ClNO/c6-5(8)7-3-1-2-4-7/h1-4H2
InChIKey: XACWJIQLDLUFSR-UHFFFAOYSA-N
SMILES: ClC(=O)N1CCCC1
CAS DataBase Reference: 1192 · 1192-63-8(CAS DataBase Reference)
FDA UNII: 96 J4NEA6 · FE96J4NEA6
EPA Substance Registry System: 1 · 1-Pyrrolidinecarbonyl chloride (1192-63-8)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 280 · P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 34 · 34
Safety Statements: 26 · 26-27-36/37/39-45
RIDADR: 3265 · 3265
WGK Germany: 3 · 3
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: II
HS Code: 29339980 · 29339980
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 Skin · Eye Dam. 1Skin Corr. 1B

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

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

Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

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

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: 3265
hs_code: 29339980
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
safety_code: 26-27-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: II
Hazard statements: H314
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
Precautionary statements: P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1-Pyrrolidinecarbonyl chloride: INACTIVE

Applications

Uses1-Pyrrolidinecarbonyl chloride was used in the synthesis of (S)-4-(2-(((benzyloxy)carbonyl)amino)-3-methoxy-3-oxopropyl)phenyl pyrrolidine-1-carboxylate.