5-니트로-2-푸로산

5-Nitro-2-Furoic Acid

HCID 12577CAS 645-12-5

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: O=C(O)c1ccc([N+](=O)[O-])o1
InChIKey: IODMEDPPCXSFLD-UHFFFAOYSA-N
분자식: C5H3NO5
평균 분자량: 157.08 g/mol
단동위원소 질량: 157.0011222

개요

structure given in first source

이름 및 식별자

우선 이름: 5-Nitro-2-Furoic Acid
IUPAC: 5-nitrofuran-2-carboxylic acid
현지명: 5-니트로-2-푸로산
영어명: 5-Nitro-2-furoic acid
분자식: C5H3NO5
분자량: 157.08

이름 및 동의어

5-NITRO-2-FUROIC ACID645-12-55-Nitrofuroic acid2-Furoic acid, 5-nitro-DTXSID00214746NFCARefChem:537405DTXCID30137237211-432-65-Nitrofuran-2-carboxylic acidNitrofurate5-Nitro-2-furancarboxylic Acid

이름 더 보기

5-니트로-2-푸로산5-nitrofuroicacid5-nitropyromucateRARECHEM AL BO 16195-nitro-2-furoicaci2-CARBOXY-5-NITROFURAN

2-Furancarboxylic acid, 5-nitro-MFCD000032405-Nitrofurancarboxylic acid5-Nitropyromucic acidEINECS 211-432-6UTY7TN9FTPNSC-6452SCHEMBL1221377

데이터베이스 식별자

CAS: 645-12-5
PubChem CID: 12577
DTXSID: DTXSID00214746
ChEMBL: CHEMBL1186
UNII: UTY7TN9FTP
EC Number: 211-432-6
Nikkaji: J3.017A

물성

구조 계산 물성

XLogP: 1
극성 표면적: 96.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 186

물리화학적 성질

녹는점: 185 · 185-189 °C (lit.)
끓는 점: 281.7 °C · 281.7°C (rough estimate)
밀도: 1.8109 · 1.8109 (rough estimate)
굴절률: 1.4798 · 1.4798 (estimate)
저장 조건: 2 · Sealed in dry,2-8°C
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 2.06 · 2.06±0.10(Predicted)
색상: 흰색에서 밝은 노란색
수용성: 물에 약간 용해됩니다.
BRN: 139373 · 139373
InChI: InChI=1S/C5H3NO5/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,7,8)
InChIKey: IODMEDPPCXSFLD-UHFFFAOYSA-N
SMILES: O1C([N+]([O-])=O)=CC=C1C(O)=O
NIST: 5 · 5-Nitrofuran-2-carboxylic acid(645-12-5)

화학적 성질

yellow crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H319 (90.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

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

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesEye Irrit. 2A (90.9%)

안전 데이터

wgk: 3
rtecs: LV2012000
HS 번호: 2932.19.5100
risk_code: 68-36/37/38-40
hazard_code: Xn
safety_code: 37/39-36/37-36-22
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도5-Nitro-2-furoic acid is a representative of 2-substituted 5-nitrofurans. A number of nitrofurans have been used as antibacterial, antiprotozoal, and anthelmintic drugs in humans and animals. 2-Substituted 5-nitrofurans have been used worldwide as human and veterinary medicines, food preservatives, and feed additives, and they are utilized in human medicine as antibacterial agents. Therefore, the relationship between the antibacterial effect and the mutagenicity of these compounds and their oxidized metabolites is important. Comparison of the antibacterial effects and genotoxic potencies of nitrofuran drugs and their oxidative metabolites may provide a new direction for selecting nitrofuran drugs for human use.

일반 설명The FT-IR and FT-Raman spectra of 5-Nitro-2-furoic acid has been studied.

상·하류 제품 정보

상류 원료

중크롬산나트륨 P-톨루엔설폰 산 무수초산 황산 나트륨 디에틸에테르 초산에틸 중탄산나트륨(중조)질산 수산화나트륨 피리딘 푸르푸랄 석유 에테르

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

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