CAS 67843-74-7 (+)-Epichlorohydrin (HCID 149428)

개요

(S)-epichlorohydrin is an epichlorohydrin. It is functionally related to a (R)-1,2-epoxypropane. It is an enantiomer of a (R)-epichlorohydrin.

이름 및 식별자

우선 이름: (+)-Epichlorohydrin
IUPAC: (2S)-2-(chloromethyl)oxirane
현지명: (S)-에피클로로파이드린
영어명: (S)-(+)-Epichlorohydrin
분자식: C3H5ClO
분자량: 92.52

이름 및 동의어

67843-74-7(S)-(Chloromethyl)oxiraneEpichlorohydrin, (+)-(+)-epichlorohydrinSCR89B4R6ORefChem:590915(S)-Epichlorohydrin(S)-(+)-Epichlorohydrin(2S)-2-(chloromethyl)oxirane(S)-2-(Chloromethyl)oxiraneOxirane, (chloromethyl)-, (2S)-MFCD00077760

이름 더 보기

(S)-에피클로로파이드린(S)-(+)-에피클로로히드린2-(Chloromethyl)oxiraneEPICHLOROHYDRINEEPICHLORHYDRINALPHA-EPICHLOROHYDRIN2,3-EPOXYPROPYL CHLORIDEAKOS BBS-00004288D-epichlorohydrin(S)-Epichlorhydrin

(S)-1-Chloro-2,3-epoxypropane(2S)-(+)-3-Chloro-1,2-propenoxideC3H5ClOs-epichlorohydrin(S)-3-Chloropropylene Oxide(S)-(+)-Epichlorohydrin, 98%CCRIS 63882-(Chloromethyl)oxirane #

데이터베이스 식별자

CAS: 67843-74-7
PubChem CID: 149428
DTXSID: DTXSID3045801
ChEBI: CHEBI:37145
UNII: SCR89B4R6O
EC Number: 482-080-0、614-150-5
Nikkaji: J146.651H

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 12.5 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 5
형식 전하: 0
복잡도: 37.9

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

물리화학적 성질

녹는점: 57 °C · −57 °C(lit.)
끓는 점: 92 · 92-93 °C360 mm Hg(lit.)
밀도: 1.183 g/mL · 1.183 g/mL at 25 °C(lit.)
증기 밀도: 3.2 · 3.2 (vs air)
증기압: 13.8 mm · 13.8 mm Hg ( 21.1 °C)
굴절률: 20 · n20/D 1.438(lit.)
인화점: 93 °F · 93 °F
저장 조건: 2 · Inert atmosphere,2-8°C
용해도: 에 용해됨클로로포름, 메탄올 (약간 용해됨)
물리적 상태: 액체
색상: 투명한 무색~매우 연한 노란색
폭발한계: 21 % · 21%
수용성: 불용성
BRN: 1420784 · 1420784
Dielectric constant: 22.9 · 22.9(20℃)
InChI: 1S/C3H5ClO/c4-1-3-2-5-3/h3H,1-2H2/t3-/m1/s1
InChIKey: BRLQWZUYTZBJKN-GSVOUGTGSA-N
SMILES: ClC[C@@H]1CO1

화학적 성질

Colorless to light yellow liqui

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P203, P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P318, P320, P321, P330, P333+P317, P361+P364, 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 108 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H226 (98.4%): Flammable liquid and vapor [Warning Flammable liquids]

유해성 정보

Regulatory InformationStatus: Active Update: 11-04-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/4669

Hazard Classes and Categories · 2건

Flam. Liq. 3 (98.4%)

Flam. Liq. 3 (100%)

안전 데이터

wgk: 3
rtecs: TX4900000
ridadr: UN 2023 6.1/PG 2
HS 번호: 29038900
risk_code: 45-10-23/24/25-34-43
hazard_code: T
safety_code: 53-45
포장분류: II
위험 등급: 6.1
기존화학 물질: KE-05-0592
자연 발화 온도: 1421 °F
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralCarc. 1BEye Dam. 1Flam. Liq. 3Skin Corr. 1BSkin Sens. 1
스토리지 클래스: 3 - Flammable liquids
함량 및 규제정보: 물질구분: 유독물질; 혼합물(제품)함량정보: 에피클로로히드린 및 이를 0.1% 이상 함유한 혼합물
유해화학물질 필터링: 97-1-192
중점관리물질 필터링: 별표1-198

화학 및 산업

응용 분야 · 1건

용도(S)-(+)-Epichlorohydrin is utilized for the synthesis of macquarimicins and hydroxyisoxazolidines and (+)-cis-sylvaticin, which is a potential antitumor agent. It is used to synthesize inhibitors of fatty acid oxidation as potential metabolic modulators. It acts as a solvent for natural and synthetic resins, gums, cellulose esters and ethers, paints, varnishes, nail enamels, lacquers and cement for celluloid. It is also used as a stabilizer and also useful as a bifunctional alkylating agent with the potential to form DNA cross-links.

제조 방법 · 1건

생산 방법Chiral epichlorohydrin (ECH) is an attractive intermediate for chiral pharmaceuticals and chemicals preparation. The asymmetric synthesis of chiral ECH using 1,3-dicholoro-2-propanol (1,3-DCP) catalyzed by a haloalcohol dehalogenase (HHDH) was considered as a feasible approach[6].