4-히드록시-3-니트로벤조니트릴

4-Hydroxy-3-nitrobenzonitrile

HCID 76758

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 3272-08-0
표준 SMILES: N#Cc1ccc(O)c([N+](=O)[O-])c1
InChIKey: INBLGVOPOSGVTA-UHFFFAOYSA-N
분자식: C7H4N2O3
평균 분자량: 164.12 g/mol
단동위원소 질량: 164.02219199

이름 및 식별자

우선 이름: 4-Hydroxy-3-nitrobenzonitrile
IUPAC: 4-hydroxy-3-nitrobenzonitrile
현지명: 4-히드록시-3-니트로벤조니트릴
영어명: 4-Hydroxy-3-nitrobenzonitrile
분자식: C7H4N2O3
분자량: 164.12

이름 및 동의어

4-Hydroxy-3-nitrobenzonitrile3272-08-0Benzonitrile, 4-hydroxy-3-nitro-4-Cyano-2-nitrophenolEINECS 221-899-8DTXSID60186394RefChem:523848DTXCID70108885221-899-82-Nitro-4-cyanophenol3-nitro-4-hydroxybenzonitrile4-Hydroxy-3-nitro-benzonitrile

이름 더 보기

4-히드록시-3-니트로벤조니트릴4-cyano-2-nitrophenolate4-HYDROXY-3-NITROBENZONITRILE 97%4-Hydroxy-3-nitrobenzonitrile,97%4-BROMO-2,6-DIETHOXY-1-NITROBENZENE4-Hydroxy-3-nitrobenzonitrile ISO 9001：2015 REACH

MFCD000707754-Hydroxy-3-nitrobenzonitrile, 98%CS-W008477EN300-533844-hydroxy-3-nitrobenzenecarbonitrile2-Nitro-4-cyano phenolbenzonitrile, 4-hydroxyPCQ4PKY4SY

데이터베이스 식별자

CAS: 3272-08-0
PubChem CID: 76758
DTXSID: DTXSID60186394
UNII: PCQ4PKY4SY
EC Number: 221-899-8
Nikkaji: J262.374I

물성

구조 계산 물성

XLogP: 1.6
극성 표면적: 89.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 227

실험 및 물리화학적 성질

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

물리화학적 성질

녹는점: 146 · 146-148 °C (lit.)
끓는 점: 291.56 °C · 291.56°C (rough estimate)
밀도: 1.5018 · 1.5018 (rough estimate)
굴절률: 1.53 · 1.5300 (estimate)
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 4.66 · 4.66±0.14(Predicted)
InChI: InChI=1S/C7H4N2O3/c8-4-5-1-2-7(10)6(3-5)9(11)12/h1-3,10H
InChIKey: INBLGVOPOSGVTA-UHFFFAOYSA-N
SMILES: C(#N)C1=CC=C(O)C([N+]([O-])=O)=C1

화학적 성질

yellow powder

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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationChemical: Benzonitrile, 4-hydroxy-3-nitro-

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
HS 번호: 29269090
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 26-37/39-36/37/39-24/25
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도4-Hydroxy-3-nitrobenzonitrile may be used in the synthesis of:3-azido-4-methoxybenzonitrile4-methoxy-3-nitrobenzonitrileethyl [2,2-dimethyl-6-(Δ2-thiazolin-2-yl)-4H-l,4-benzoxazin-3-one-4-yl]butyrate

일반 설명4-Hydroxy-3-nitrobenzonitrile is one of the main photoproduct formed during hotolytic destruction of herbicide bromoxynil.

상·하류 제품 정보

상류 원료

공급사100 곳

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

上海衡新化工科技有限公司13917104483; 13917104483 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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