1-Chloro-3-methoxypropan-2-ol

HCID 97988CAS 4151-97-7

기본 정보

표준 SMILES: COCC(O)CCl
InChIKey: FOLYKNXDLNPWGC-UHFFFAOYSA-N
분자식: C4H9ClO2
평균 분자량: 124.56 g/mol
단동위원소 질량: 124.02910721

이름 및 식별자

우선 이름: 1-Chloro-3-methoxypropan-2-ol
IUPAC: 1-chloro-3-methoxypropan-2-ol
영어명: 1-Chloro-3-methoxy-2-propanol
분자식: C4H9ClO2
분자량: 124.57

이름 및 동의어

1-Chloro-3-methoxypropan-2-ol4151-97-71-chloro-3-methoxy-2-propanol3-CHLORO-1-METHOXY-2-PROPANOLAI3-61849FOLYKNXDLNPWGC-UHFFFAOYSA-EINECS 223-982-4NSC 166627DTXSID401308186NSC 65872RefChem:431341DTXCID101738100

이름 더 보기

oro-3-methoxypropan-2-oL1-Methoxy-3-chloro-2-propanol1-Chloro-3-methoxy-2-propanol >1-CHLORO-3-METHOXY-2-PROPANOL 98+%3-Chloro-1-methoxy-2-propanol, 98+%3-CHLORO-2-HYDROXYPROPYL METHYL ETHER

223-982-4InChI=1/C4H9ClO2/c1-7-3-4(6)2-5/h4,6H,2-3H2,1H32-Propanol, 1-chloro-3-methoxy-MFCD00018935NSC65872SCHEMBL196482-hydroxy-3-methoxypropyl chlorideNSC-65872

데이터베이스 식별자

CAS: 4151-97-7
PubChem CID: 97988
DTXSID: DTXSID401308186
EC Number: 223-982-4
Nikkaji: J25.031G

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 29.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 7
형식 전하: 0
복잡도: 40.7

물리화학적 성질

끓는 점: 171 °C · 171°C
밀도: 1 · 1,161 g/cm3
굴절률: 1.4463 · 1.4463
인화점: 72 °C · 72°C
저장 조건: 30 °C · Store below +30°C.
용해도: 클로로포름, DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 기름진 액체
산도 계수 (pKa): 13.28 · 13.28±0.20(Predicted)
색상: 맑고 희미한 노란색
수소이온지수(pH): 5.6 · 5.6 (50g/l, H2O)
BRN: 1697491 · 1697491
InChI: InChI=1S/C4H9ClO2/c1-7-3-4(6)2-5/h4,6H,2-3H2,1H3
InChIKey: FOLYKNXDLNPWGC-UHFFFAOYSA-N
SMILES: C(Cl)C(O)COC

화학적 성질

Clear faintly yellow oily liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (13.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information3-Chloro-1-methoxy-2-propanol: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (13.6%)

안전 데이터

wgk: WGK 3 highly water endangering
ridadr: 2810
독성: LD50 orally in Rabbit: 340 mg/kg
HS 번호: 2909 49 80
risk_code: 20/21/22-36-36/37/38
hazard_code: Xi
safety_code: 23-26-36/37/39-36
포장분류: III

화학 및 산업

응용 분야 · 1건

용도1-Chloro-3-methoxy-2-propanol is used in the synthesis of O-Methylganciclovir (M275440), an analogue of Ganciclovir (G235000) and displays excellent antiviral activity when tested in vivo against herpes simplex virus type 1 infection in mice.