2-METHOXY-5-니트로벤조산

2-Methoxy-5-nitrobenzoic acid

HCID 284163

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 40751-89-1
표준 SMILES: COc1ccc([N+](=O)[O-])cc1C(=O)O
InChIKey: CVZUPRDSNNBZLH-UHFFFAOYSA-N
분자식: C8H7NO5
평균 분자량: 197.14 g/mol
단동위원소 질량: 197.03242232

이름 및 식별자

우선 이름: 2-Methoxy-5-nitrobenzoic acid
IUPAC: 2-methoxy-5-nitrobenzoic acid
현지명: 2-METHOXY-5-니트로벤조산
영어명: 2-METHOXY-5-NITROBENZOIC ACID
분자식: C8H7NO5
분자량: 197.14

이름 및 동의어

2-Methoxy-5-nitrobenzoic acid40751-89-1DTXSID30300904RefChem:87858DTXCID10252038670-278-1CVZUPRDSNNBZLH-UHFFFAOYSA-NMFCD005279022-Methoxy-5-nitro-benzoic acid2-METHOXY-5-NITROBENZOICACIDNSC139931SCHEMBL1671926

이름 더 보기

2-METHOXY-5-니트로벤조산Benzoic acid, 2-methoxy-5-nitro-2-Methoxy-5-nitrobenzoic acid, 96%,2-Methoxy-5-nitrobenzoic acid≥ 98% (HPLC)

2-methoxy-5-nitro benzoic acidBBL035691STK498307AKOS000112213AB06422NSC 139931NSC-139931DS-13174

데이터베이스 식별자

CAS: 40751-89-1
PubChem CID: 284163
DTXSID: DTXSID30300904
EC Number: 670-278-1
Nikkaji: J1.845.851I

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 92.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 14
형식 전하: 0
복잡도: 236

물리화학적 성질

녹는점: 155 · 155-158℃
저장 조건: Sealed in dry,Room Temperature

화학적 성질

White to off-white powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

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]

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

Aggregated GHS information provided per 5 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.