CAS 16633-46-8 rac-(1R,2R)-2-(4-nitrophenyl)cyclopropane-1-carboxylic acid (HCID 12854631)

기본 정보

CAS: 16633-46-8
표준 SMILES: O=C(O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1
InChIKey: BIHOAKPNPOGWEV-DTWKUNHWSA-N
분자식: C10H9NO4
평균 분자량: 207.18 g/mol
단동위원소 질량: 207.05315777

이름 및 식별자

우선 이름: rac-(1R,2R)-2-(4-nitrophenyl)cyclopropane-1-carboxylic acid
IUPAC: trans-(1R,2R)-2-(4-nitrophenyl)cyclopropane-1-carboxylic acid
현지명: 사이클로프로판카복실산,2-(4-니트로페닐)-,(1R,2R)-REL-
영어명: Cyclopropanecarboxylic acid, 2-(4-nitrophenyl)-, (1R,2R)-rel-
분자식: C10H9NO4
분자량: 207.18

이름 및 동의어

rac-(1R,2R)-2-(4-nitrophenyl)cyclopropane-1-carboxylic acidRefChem:872467827-293-516633-46-8trans-2-(4-Nitrophenyl)cyclopropanecarboxylic acid(1R,2R)-2-(4-Nitrophenyl)cyclopropane-1-carboxylic acidCYCLOPROPANECARBOXYLIC ACID, 2-(4-NITROPHENYL)-, (1R,2R)-REL-MFCD07778400(1R,2R)-2-(4-Nitrophenyl)cyclopropanecarboxylic acidRac-(1r,2r)-2-(4-nitrophenyl)cyclopropane-1-carboxylic acid, transtrans-2-(4-Nitrophenyl)cyclopropanecarboxylicacidSCHEMBL3737728

이름 더 보기

사이클로프로판카복실산,2-(4-니트로페닐)-,(1R,2R)-REL-

DTXSID90511534YQF3660BIHOAKPNPOGWEV-DTWKUNHWSA-NMFCD12546171trans,rel-(1R,2R)-2-(4-Nitrophenyl)cyclopropane-1-carboxylic AcidAKOS016011681SY205239DB-344422

데이터베이스 식별자

CAS: 16633-46-8
PubChem CID: 12854631
DTXSID

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 83.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 278

물리화학적 성질

녹는점: 191 · 191-193 °C(Solv: acetonitrile (75-05-8))
끓는 점: 415 · 415.0±45.0 °C(Predicted)
밀도: 1.464 · 1.464±0.06 g/cm3(Predicted)
산도 계수 (pKa): 4.45 · 4.45±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.