1-Pyrrolidinecarbonyl chloride

HCID 70937CAS 1192-63-8

기본 정보

표준 SMILES: O=C(Cl)N1CCCC1
InChIKey: XACWJIQLDLUFSR-UHFFFAOYSA-N
분자식: C5H8ClNO
평균 분자량: 133.57 g/mol
단동위원소 질량: 133.02944156

이름 및 식별자

우선 이름: 1-Pyrrolidinecarbonyl chloride
IUPAC: pyrrolidine-1-carbonyl chloride
영어명: 1-PYRROLIDINECARBONYL CHLORIDE
분자식: C5H8ClNO
분자량: 133.58

이름 및 동의어

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

이름 더 보기

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 1.3
극성 표면적: 20.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 98.6

물리화학적 성질

끓는 점: 104 · 104-106 °C/14 mmHg (lit.)
밀도: 1.209 g/mL · 1.209 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.493(lit.)
인화점: 208 °F · 208 °F
저장 조건: -20 °C · -20°C
물리적 상태: 액체
산도 계수 (pKa): -1.85 · -1.85±0.20(Predicted)
색상: 무색투명~연황색
수용성: 물과 반응합니다.
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
EPA: 1 · 1-Pyrrolidinecarbonyl chloride (1192-63-8)

화학적 성질

CLEAR COLOURLESS TO LIGHT YELLOW LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

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

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: 3265
HS 번호: 29339980
risk_code: 34
hazard_code: C
safety_code: 26-27-36/37/39-45
포장분류: II
위험 등급: 8
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

용도 및 제조

General Manufacturing Information1-Pyrrolidinecarbonyl chloride: INACTIVE

응용 분야

용도1-Pyrrolidinecarbonyl chloride was used in the synthesis of (S)-4-(2-(((benzyloxy)carbonyl)amino)-3-methoxy-3-oxopropyl)phenyl pyrrolidine-1-carboxylate.