5-하이드록시-2-니트로벤조산

5-Hydroxy-2-nitrobenzoic acid

HCID 11882CAS 610-37-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(O)c1cc(O)ccc1[N+](=O)[O-]
InChIKey: BUHKQTKKZAXSMH-UHFFFAOYSA-N
분자식: C7H5NO5
평균 분자량: 183.12 g/mol
단동위원소 질량: 183.01677226

이름 및 식별자

우선 이름: 5-Hydroxy-2-nitrobenzoic acid
IUPAC: 5-hydroxy-2-nitrobenzoic acid
현지명: 5-하이드록시-2-니트로벤조산
영어명: 5-Hydroxy-2-nitrobenzoic acid
분자식: C7H5NO5
분자량: 183.12

이름 및 동의어

5-Hydroxy-2-nitrobenzoic acidBENZOIC ACID, 5-HYDROXY-2-NITRO-BRN 2107504DTXSID202098564-10-00-00338 (Beilstein Handbook Reference)RefChem:102766DTXCID70132347629-984-5BUHKQTKKZAXSMH-UHFFFAOYSA-N610-37-73-Carboxy-4-nitrophenolMFCD00017566

이름 더 보기

5-하이드록시-2-니트로벤조산RARECHEM AL BE 06795-Hydroxy-2-nitrobenzoic5-hydroxy-2-nitro-benzoicaci3-Hydroxy-6-nitro benzoic acid5-Hydroxy-2-nitrobenzoicAcid>Benzoic acid, 5-hydroxy-2-nitro-5-Hydroxy-2-nitrobenzoic acid, tech

AKOS009157631CS-W017066AC-3262H1321EN300-116557AO-801/41077445doi:10.14272/BUHKQTKKZAXSMH-UHFFFAOYSA-N.12-Nitro-5-hydroxybenzoic acid

데이터베이스 식별자

CAS: 610-37-7
PubChem CID: 11882
DTXSID: DTXSID20209856
UNII: G78T63TEY2
EC Number: 629-984-5
Nikkaji: J385.141I

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 103 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 13
형식 전하: 0
복잡도: 223

물리화학적 성질

녹는점: 170 · 170-171°C
끓는 점: 455 · 455.0±40.0 °C(Predicted)
밀도: 1.631 · 1.631
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 2.06 · 2.06±0.25(Predicted)
색상: White to Yellow to Green

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 (87.5%): 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 8 reports by companies from 5 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

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (87.5%)

안전 데이터

HS 번호: 29163990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
위험 참고 사항: Irritant

화학 및 산업

응용 분야

용도5-Hydroxy-2-nitrobenzoic acid inhibits the activity of wild type-bovine low Mr protein tyrosine phosphatase. The inhibition constant has been evaluated.