(S)-2-(4-니트로페닐)옥시란

(S)-2-(4-Nitrophenyl)oxirane

HCID 1237169CAS 78038-42-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=[N+]([O-])c1ccc([C@H]2CO2)cc1
InChIKey: YKIUTLHCSNCTDZ-MRVPVSSYSA-N
분자식: C8H7NO3
평균 분자량: 165.15 g/mol
단동위원소 질량: 165.04259309

이름 및 식별자

우선 이름: (S)-2-(4-Nitrophenyl)oxirane
IUPAC: (2S)-2-(4-nitrophenyl)oxirane
현지명: (S)-2-(4-니트로페닐)옥시란
영어명: (S)-2-(4-Nitrophenyl)oxirane
분자식: C8H7NO3
분자량: 165.15

이름 및 동의어

(S)-2-(4-Nitrophenyl)oxiraneRefChem:407873625-073-1(2S)-2-(4-NITROPHENYL)OXIRANE78038-42-3(S)-4-Nitrostyrene oxide(S)-PARA-NITROSTYRENE OXIDEOxirane, (4-nitrophenyl)-, (2S)-(S)-(4-Nitrophenyl)oxirane(R)-(4-Nitrophenyl)oxirane(S)-p-Nitrostyrene oxide(S)-para-nitro styrene oxide

이름 더 보기

(S)-2-(4-니트로페닐)옥시란(2S)-2β-(4-Nitrophenyl)oxiraneOxirane, 2-(4-nitrophenyl)-, (2S)-

SCHEMBL1583098YKIUTLHCSNCTDZ-MRVPVSSYSA-NAKOS017390829DB04782DB-075402G81705EN300-1857252Q27095519

데이터베이스 식별자

CAS: 78038-42-3
PubChem CID: 1237169
EC Number: 625-073-1
Nikkaji: J415.676E

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 58.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 181

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.；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. 4 (100%)

안전 데이터

risk_code: 22
hazard_code: Xn

화학 및 산업

응용 분야

용도(S)-(4-Nitrophenyl)oxirane is used as a reagent in the enantioconvergent synthesis of the β-blocker (R)-Nifenalol which is based on a combined chemoenzymic approach.

공급사4 곳

西安华瑞致远生物科技有限公司18014474522 · [email protected]

南通敏言生物医药科技有限公司0513-85921823 18662920231 · [email protected]

南通普悦生物医药有限公司0513-0513-0513-89158300 18014392889 · [email protected]

江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]

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