4-클로로-N-메틸피페리딘

4-chloro-N-methylpiperidine

HCID 79342CAS 5570-77-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CN1CCC(Cl)CC1
InChIKey: MYGXGCCFTPKWIH-UHFFFAOYSA-N
분자식: C6H12ClN
평균 분자량: 133.62 g/mol
단동위원소 질량: 133.06582706

이름 및 식별자

우선 이름: 4-chloro-N-methylpiperidine
IUPAC: 4-chloro-1-methylpiperidine
현지명: 4-클로로-N-메틸피페리딘
영어명: 4-Chloro-N-methylpiperidine
분자식: C6H12ClN
분자량: 133.62

이름 및 동의어

4-Chloro-1-methylpiperidine4-Chloro-N-methylpiperidineN-methyl-4-chloropiperidinePiperidine, 4-chloro-1-methyl-3J2YSE7ZGEEINECS 226-942-4UNII-3J2YSE7ZGEDTXSID90639501-METHYL-4-PIPERIDYL CHLORIDE1-METHYL-4-PIPERIDINYL CHLORIDE4-Chloro-N-methylpiperidine hydrochloride (Salt/Mix)1-Methyl-4-chloropiperidine hydrochloride (Salt/Mix)

이름 더 보기

4-클로로-N-메틸피페리딘N-METHYL-4-CHLORO PIPERIDINE4-CHLORO-N-METHYL PIPERIDINEoro-1-methyLN-Methyl-4-chloroN-methyl-4-cloperidineN-Methyl-4-Chloropiperdine4-chloro-1-methyl-piperidinN-Methyl-4-chloropiperideneN-methyl-4-ChIoropiperidine

RefChem:98536DTXCID4041947226-942-4MYGXGCCFTPKWIH-UHFFFAOYSA-N5570-77-41-Methyl-4-chloropiperidine4-chloro-1-methyl-piperidineMFCD00044489

데이터베이스 식별자

CAS: 5570-77-4
PubChem CID: 79342
DTXSID: DTXSID9063950
UNII: 3J2YSE7ZGE
EC Number: 226-942-4
Nikkaji: J215.723C

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 3.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 66.9

물리화학적 성질

녹는점: 160 · 160-165°C
끓는 점: 162 °C · 162°C(lit.)
밀도: 1.02 · 1.02
증기압: 3.493 hPa · 3.493hPa at 25℃
굴절률: 1.467 · 1.4670-1.4710
인화점: 48 °C · 48 °C
저장 조건: Inert atmosphere,Room Temperature
용해도: 클로로포름(약간), 에탄올(약간), 메탄올(약간)에 용해됨
물리적 상태: clear liquid to slightly cloudy liquid
산도 계수 (pKa): 7.88 · 7.88±0.10(Predicted)
색상: Colorless to Light yellow to Light orange
수용성: 1.533 g/L · 1.533g/L at 29℃
InChI: 1S/C6H12ClN/c1-8-4-2-6(7)3-5-8/h6H,2-5H2,1H3
InChIKey: MYGXGCCFTPKWIH-UHFFFAOYSA-N
SMILES: CN1CCC(Cl)CC1
LogP: 1.318 at · 1.318 at 25℃
EPA: 4 · Piperidine, 4-chloro-1-methyl- (5570-77-4)

화학적 성질

Clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (10%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 60 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Cease Manufacture Update: 30-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/20723

Hazard Classes and CategoriesFlam. Liq. 2 (10%)

안전 데이터

wgk: WGK 3
tsca: TSCA listed
ridadr: 1993
HS 번호: 29333990
risk_code: 10-34-36/38
hazard_code: Xi,C
safety_code: 22-24/25-45-36/37/39-26-36-16
포장분류: III
위험 등급: 3
Hazard Classifications: Aquatic Chronic 3Eye Dam. 1Flam. Liq. 3Skin Corr. 1B
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationPiperidine, 4-chloro-1-methyl-: ACTIVE

응용 분야

용도4-Chloro-1-methylpiperidine is a reactant in the synthesis of indole and benzimidazole piperazines as histamine H4 receptor antagonist.

상·하류 제품 정보

상류 원료

하류 제품

4-클로로-1-메틸피페리딘염산염 1-(1-메틸-4-피페리디닐)피페라진 1-Methylpiperdin-4-ylmagnesium chloride, 0.50 M in THF 4-클로로피페리딘 4-피페리딘설폰아미드,1-메틸-

공급사50 곳

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

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海泰矶林实业有限公司02150630626 17717886015 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

科瑞迪化学400-821-5857 021-64326257 · [email protected]

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