(+)-Styrene oxide

HCID 114705CAS 20780-53-4

기본 정보

표준 SMILES
c1ccc([C@@H]2CO2)cc1
InChIKey
AWMVMTVKBNGEAK-QMMMGPOBSA-N
분자식
C8H8O
평균 분자량
120.15 g/mol
단동위원소 질량
120.05751487

이름 및 식별자

우선 이름
(+)-Styrene oxide
IUPAC
(2R)-2-phenyloxirane
영어명
(R)-Styrene oxide
분자식
C8H8O
분자량
120.15

이름 및 동의어

(R)-Styrene oxide20780-53-4(2R)-2-phenyloxiraneR-Phenyloxirane(R)-(+)-Styrene oxideR-STYRENE OXIDE(R)-(Epoxyethyl)benzeneOxirane, phenyl-, (2R)-Styrene oxide, (R)-0HB27D5MRWCHEBI:45389DTXSID401349483
이름 더 보기
CgHgO(r)-benzen(R)-EPOXYSTYROL2-phenylethen-1-one(R)-2-phenyl-oxirane(r)-(+)-epoxystyrene(R)-STYRENE OXIDE 98%
(+)-styrene oxideRefChem:889336DTXCID701778495606-637-6(R)-2-phenyloxirane(R)-PhenyloxiraneOxirane, 2-phenyl-, (2R)-MFCD00066210

데이터베이스 식별자

CAS
20780-53-4
PubChem CID
114705
DTXSID
DTXSID401349483
ChEMBL
CHEMBL1235743
ChEBI
CHEBI:45389
UNII
0HB27D5MRW
EC Number
606-637-6
Nikkaji
J471.947F

물성

구조 계산 물성

XLogP
1.6
극성 표면적
12.5 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
1
무거운 원자 수
9

물리화학적 성질

녹는점
-37 °C · -37 °C
끓는 점
89 · 89-90 °C23 mm Hg(lit.)
밀도
1.051 g/mL · 1.051 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.535
인화점
175 °F · 175 °F
저장 조건
2 · 2-8°C

화학적 성질

Colorless to light yellow liqui

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H312 (98.2%): Harmful in contact with skin [Warning Acute toxicity, dermal];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H350 (100%): May cause cancer [Danger Carcinogenicity]

P203, P264+P265, P280, P302+P352, P305+P351+P338, P317, P318, P321, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 57 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

Regulatory Information · 2건

Chemical: Oxirane, phenyl-, (R)-

(R)-Styrene oxide: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Phenyloxirane and its isomers: Human health tier II assessment
Hazard Classes and Categories · 2건

Acute Tox. 4 (98.2%);Eye Irrit. 2 (100%);Carc. 1B (100%)

Acute toxicity - category 4;Eye irritation - category 2A;Skin sensitisation - category 1;Carcinogenicity - category 1B

규제 정보

Regulatory Information · 2건

Chemical: Oxirane, phenyl-, (R)-

(R)-Styrene oxide: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk
3
rtecs
CZ9625010
ridadr
2810
HS 번호
29109000
risk_code
45-21-36
hazard_code
T

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 2건

Substances that increase the risk of NEOPLASMS in humans or animals. Both genotoxic chemicals, which affect DNA directly, and nongenotoxic chemicals, which induce neoplasms by other mechanism, are included.

Chemical agents that increase the rate of genetic mutation by interfering with the function of nucleic acids. A clastogen is a specific mutagen that causes breaks in chromosomes.

응용 분야

용도Main metabolite of Styrene (S687790), catalyzed by epoxide hydrolase.

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]

추가 설명

정의ChEBI: The (R)-enantiomer of styrene oxide.

관련 반응

29건

연결된 노트

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