CAS 60827-45-4 alpha-Chlorohydrin, (+)- (HCID 148904)

이름 및 식별자

우선 이름: alpha-Chlorohydrin, (+)-
IUPAC: (2S)-3-chloropropane-1,2-diol
현지명: 클로로-1,2-프로판디올
영어명: (S)-(+)-3-Chloro-1,2-propanediol
분자식: C3H7ClO2
분자량: 110.54

이름 및 동의어

60827-45-4(S)-(+)-3-Chloro-1,2-propanediol1,2-Propanediol, 3-chloro-, (2S)-(S)-alpha-ChlorohydrinS-3-Chloro-1,2-propanediolCCRIS 73861,2-Propanediol, 3-chloro-, (S)-(2S)-3-Chloro-1,2-propanediolalpha-Chlorohydrin, (+)-UNII-227BD3H6H6227BD3H6H6(S)-MONOCHLOROHYDRIN

이름 더 보기

(S)-(+)-3-클로로-1,2-프로페인다이올클로로-1,2-프로판디올(S)-(+)-3-클로로-1,2-프로판디올(S)-3-CHLOROPROPANE-1,2-DIOL(S)-3-CHLORO-1,2-PROPANEDIOL(2S)-3-CHLOROPROPANE-1,2-DIOL(S)-3-MCPDS-Chloropropanediol(S)-(+)-3-Chloro-1,2Chloropropanediol,97%S-3-CHLOROPROPANE DIOLCeftobiprole Impurity 123-chloro-2-propanedio(s)-

ALPHA-CHLOROHYDRIN, (S)-.ALPHA.-CHLOROHYDRIN, (S)-S-(+)-.ALPHA.-CHLOROHYDRIN.ALPHA.-CHLOROHYDRIN, (+)-(+)-3-CHLORO-1,2-PROPANEDIOLRefChem:199447(S)-.ALPHA.-CHLOROHYDRINS-(+)-ALPHA-CHLOROHYDRIN

데이터베이스 식별자

CAS: 60827-45-4
PubChem CID: 148904
DTXSID: DTXSID701362721
ChEBI: CHEBI:231711
UNII: 227BD3H6H6
EC Number: 612-041-7
Nikkaji: J72.479C

물성

구조 계산 물성

XLogP: -0.5
극성 표면적: 40.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 6
형식 전하: 0
복잡도: 32

물리화학적 성질

끓는 점: 213 °C · 213 °C(lit.)
밀도: 1.322 g/mL · 1.322 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.480(lit.)
인화점: 230 °F · >230 °F
저장 조건: Inert atmosphere,Room Temperature
수용성: Completely miscible in water
물리적 상태: 투명한 액체
산도 계수 (pKa): 13.28 · 13.28±0.20(Predicted)
색상: 진한 노란색
BRN: 2202929 · 2202929
InChI: InChI=1S/C3H7ClO2/c4-1-3(6)2-5/h3,5-6H,1-2H2/t3-/m1/s1
InChIKey: SSZWWUDQMAHNAQ-GSVOUGTGSA-N
SMILES: C(O)[C@H](O)CCl

화학적 성질

clear yellow to orange-yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H301 (97.9%): Toxic if swallowed [Danger Acute toxicity, oral]；H312 (95.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (12.8%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H330 (10.6%): Fatal if inhaled [Danger Acute toxicity, inhalation]；H360 (10.6%): May damage fertility or the unborn child [Danger Reproductive toxicity]

P203, P260, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P354+P338, P316, P317, P318, P320, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (97.9%)；Acute Tox. 4 (95.7%)；Skin Irrit. 2 (12.8%)；Eye Dam. 1 (100%)；Acute Tox. 2 (10.6%)；Repr. 1A (10.6%)

안전 데이터

wgk: 3
rtecs: TY4202300
ridadr: UN 2689 6.1/PG 3
HS 번호: 29055900
risk_code: 21-25-41-68-62-36/37/38-23/25
hazard_code: T
safety_code: 26-28-39-45-36/37/39
포장분류: III
위험 등급: 6.1
F 고인화성물질: 3-10
Hazard Classifications: Acute Tox. 3 OralAcute Tox. 4 DermalEye Dam. 1
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects