5-Chlorovaleryl chloride (HCID 74089)

개요

an alkylating agent; structure in first source

이름 및 식별자

우선 이름: 5-Chlorovaleryl chloride
IUPAC: 5-chloropentanoyl chloride
현지명: 5-클로로발러일 염화물
영어명: 5-Chlorovaleryl chloride
분자식: C5H8Cl2O
분자량: 155.02

이름 및 동의어

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

이름 더 보기

5-클로로발러일 염화물5-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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 2
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 4
무거운 원자 수: 8
형식 전하: 0
복잡도: 72.8

실험 및 물리화학적 성질

SpringerMaterials PropertiesOptical coefficient

물리화학적 성질

끓는 점: 38 · 38-39 °C0.15 mm Hg(lit.)
밀도: 1.206 g/mL · 1.206 g/mL at 20 °C
굴절률: 20 · n20/D 1.464(lit.)
인화점: 195 °F · 195 °F
저장 조건: 30 °C · Store below +30°C.
용해도: 아세토니트릴(약간 용해됨), 클로로포름(약간 용해됨)
물리적 상태: 액체
색상: 무색투명~미황색
Specific Gravity: 1.2 · 1.200
수소이온지수(pH): 7 · <7 (H2O, 20℃)
폭발한계: 2 · 2.0-10.2%(V)
수용성: 물과 반응
BRN: 1745182 · 1745182
안정성: Corrosive, Moisture Sensitive
InChI: 1S/C5H8Cl2O/c6-4-2-1-3-5(7)8/h1-4H2
InChIKey: SVNNWKWHLOJLOK-UHFFFAOYSA-N
SMILES: ClCCCCC(Cl)=O

화학적 성질

clear colourless to slightly yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

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

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

안전 데이터

wgk: 1
rtecs: YV9108000
ridadr: UN 3265 8/PG 2
HS 번호: 29159000
risk_code: 22-34-23-23/34
hazard_code: C,T
safety_code: 26-36/37/39-45
포장분류: III
위험 등급: 8
기존화학 물질: 2003-3-2548
F 고인화성물질: 10-19-21
Hazard Classifications: Acute Tox. 4 OralSkin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야 · 2건

용도5-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.

일반 설명5-Chlorovaleroyl chloride is commonly used as alkylating agent in the synthesis of pharmaceutical intermediates and other specialty chemicals.