5-Chlorovaleric acid (HCID 14244)

개요

5-chloropentanoic acid is an organochlorine compound comprising pentanoic acid with a 5-chloro substituent.

이름 및 식별자

우선 이름: 5-Chlorovaleric acid
IUPAC: 5-chloropentanoic acid
영어명: 5-Chlorovaleric acid
분자식: C5H9ClO2
분자량: 136.58

이름 및 동의어

5-Chlorovaleric acid1119-46-65-CHLOROPENTANOIC ACIDPentanoic acid, 5-chloro-5-Chloro-n-valeric acidomega-chlorovaleric acid5-chloro-pentanoic acidomega-chloropentanoic acid5-chloro-valeric acid3PGL46Y9GQ.DELTA.-CHLOROVALERIC ACID.DELTA.-CHLOROPENTANOIC ACID

이름 더 보기

5-CVAITGB5AChRα3-AB-CHMFUPPYCA5-Chlorovalericethyl 5-benzyl-45-CHLOROPENTANOICα-Ergocryptine-d3

EINECS 214-279-3.OMEGA.-MONOCHLOROVALERIC ACIDCHEBI:60701DTXSID60149767delta-chlorovaleric acidRefChem:535033DTXCID7072258DELTA-CHLOROPENTANOIC ACID

데이터베이스 식별자

CAS: 1119-46-6
PubChem CID: 14244
DTXSID: DTXSID60149767
ChEBI: CHEBI:60701
UNII: 3PGL46Y9GQ
EC Number: 214-279-3
Nikkaji: J125.373E

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 8
형식 전하: 0
복잡도: 72.8

실험 및 물리화학적 성질

LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Halogenated fatty acids [FA0109]

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

물리화학적 성질

녹는점: 18 °C · 18 °C (lit.)
끓는 점: 136 °C · 136 °C / 14mmHg
밀도: 1.17 g/mL · 1.170 g/mL at 20 °C (lit.)
굴절률: 20 · n20/D 1.454(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
용해도: 클로로포름, DMSO, 에틸아세테이트에 용해됨
물리적 상태: 기름
산도 계수 (pKa): 4 · 4+-.0.10(Predicted)
색상: 투명 무색
Specific Gravity: 1.17 · 1.17
수소이온지수(pH): 2.5 · 2.5 (100g/l, H2O, 20℃)(as an emulsion)
BRN: 1745183 · 1745183
InChI: 1S/C5H9ClO2/c6-4-2-1-3-5(7)8/h1-4H2,(H,7,8)
InChIKey: YSXDKDWNIPOSMF-UHFFFAOYSA-N
SMILES: OC(=O)CCCCCl
NIST: 5 · 5-Chlorovaleric acid(1119-46-6)

화학적 성질

Colorless or light color clear liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (91.1%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

REACH registered substance: 5-chlorovaleric acid (EC: 214-279-3)

5-Chlorovaleric acid: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (91.1%)

안전 데이터

wgk: 3
ridadr: 3265
HS 번호: 29159080
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
F 고인화성물질: 8
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야

용도5-Chlorovaleric acid was used to derivatize L-hydroxyproline for the synthesis of haptens HP1 and HP2. These haptens were used in the preparation of antibodies against L-hydroxyproline.

상·하류 제품 정보

하류 제품

공급사50 곳

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

南通润丰石油化工有限公司66017690 19952660367 · [email protected]

合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]

추가 설명

정의ChEBI: An organochlorine compound comprising pentanoic acid with a 5-chloro substituent.

연결된 노트

불러오는 중…

5-Chlorovaleric acid

기본 정보

개요