CAS 154885-34-4 5-(R)-Acetoxy-1-chlorohexane (HCID 11019434)

기본 정보

CAS: 154885-34-4
표준 SMILES: CC(=O)O[C@H](C)CCCCCl
InChIKey: CCAJQWQPQNZYTE-SSDOTTSWSA-N
분자식: C8H15ClO2
평균 분자량: 178.65 g/mol
단동위원소 질량: 178.0760574

이름 및 식별자

우선 이름: 5-(R)-Acetoxy-1-chlorohexane
IUPAC: [(2R)-6-chlorohexan-2-yl] acetate
현지명: 5-(R)-아세톡시-1-클로로헥산99
영어명: 5-(R)-Acetoxy-1-chlorohexane 99
분자식: C8H15ClO2
분자량: 178.66

이름 및 동의어

5-(R)-Acetoxy-1-chlorohexaneRefChem:5316432-Hexanol, 6-chloro-, acetate, (2R)-624-287-2(R)-5-Acetoxy-1-chlorohexane154885-34-4[(2R)-6-chlorohexan-2-yl] acetate(R)-6-Chlorohexan-2-yl acetate5-(R)-ACETOXY-1-CHLOROHEXANE 99starbld0031138SCHEMBL4705933DTXSID00452080

이름 더 보기

5-(R)-아세톡시-1-클로로헥산995-(R)-Acetoxy-1-chlorohexane 992-Hexanol, 6-chloro-, acetate, (2R)- (9CI)

CCAJQWQPQNZYTE-SSDOTTSWSA-NAKOS025294598(R)-5-Acetoxy-1-chlorohexane, 99%(2R)-6-CHLOROHEXAN-2-YL ACETATE

데이터베이스 식별자

CAS: 154885-34-4
PubChem CID: 11019434
DTXSID: DTXSID00452080
EC Number: 624-287-2

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 26.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 6
무거운 원자 수: 11
형식 전하: 0
복잡도: 115

물리화학적 성질

끓는 점: 220 °C · 220 °C(lit.)
밀도: 1.02 g/mL · 1.02 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.4365(lit.)
인화점: 213 °F · 213 °F

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, 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 39 reports by companies from 2 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.