2,6-Difluoro-3-nitrobenzonitrile

HCID 2737030
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기본 정보

CAS
143879-77-0
표준 SMILES
N#Cc1c(F)ccc([N+](=O)[O-])c1F
InChIKey
JQHDRFKDZHGEBQ-UHFFFAOYSA-N
분자식
C7H2F2N2O2
평균 분자량
184.1 g/mol
단동위원소 질량
184.00843374

이름 및 식별자

우선 이름
2,6-Difluoro-3-nitrobenzonitrile
IUPAC
2,6-difluoro-3-nitrobenzonitrile
영어명
2,6-Difluoro-3-nitrobenzonitrile
분자식
C7H2F2N2O2
분자량
184.1

이름 및 동의어

2,6-Difluoro-3-nitrobenzonitrile143879-77-0DTXSID80371785RefChem:248359DTXCID80322818642-648-2Benzonitrile, 2,6-difluoro-3-nitro-2,4-difluoro-3-cyanonitrobenzeneMFCD000422542,6-difluoro-3-nitrobenzenecarbonitrile2,6-difluoro-3-nitro-benzonitrileSCHEMBL1361699
이름 더 보기
BUTTPARK 87\01-763-Cyano-2,4-difluoronitrobenzene2,6-Difluoro-3-nitrobenzonitrile98%2,6-Difluoro-3-nitrobenzonitrile 98%3-Methyl-,5-dioxa-1,1,6,6-hexantetracarbonsaeure
JQHDRFKDZHGEBQ-UHFFFAOYSA-NSBB055292STL183291AKOS000266569AB01912AC-4067CS-W002207FD70440

데이터베이스 식별자

CAS
143879-77-0
PubChem CID
2737030
DTXSID
DTXSID80371785
EC Number
642-648-2
Nikkaji
J2.166.871K

물성

구조 계산 물성

XLogP
1.7
극성 표면적
69.6 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
5
회전 가능 결합 수
0
무거운 원자 수
13

물리화학적 성질

녹는점
50 °C · 50 °C
끓는 점
176 °C · 176 °C
밀도
1.407 · 1.407
저장 조건
Sealed in dry,Room Temperature
물리적 상태
powder to crystal
색상
흰색에서 밝은 노란색

화학적 성질

Light yellow crystalline

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301+H311+H331 (33.3%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (100%)

안전 데이터

ridadr
3439
HS 번호
2926907090
risk_code
20/21/22-36/37/38
hazard_code
Xi
safety_code
26-36/37/39-45
포장분류
III

화학 및 산업

응용 분야 · 1건

용도2,6-Difluoro-3-nitrobenzonitrile is an aliphatic compound that inhibits the activity of monoamines by binding to the endogenously produced 2,6-difluoro-3-nitrobenzonitrile (DNFB). DNFB is a nitrosamine that has been shown to be a potent inhibitor of muscle contraction. This inhibition occurs at high concentrations and has been found in muscle cells. It has also been shown to inhibit the production of nitric oxide from monoxide or homologous nitrates, which may lead to atherosclerosis. 2,6-Difluoro-3-nitrobenzonitrile is also an amine and exhibits structural similarities with other members of this family.

공급사100 곳

常州帝通化工有限公司+86-0519-88298848 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西格列弗生物科技研究有限责任公司13892423764 · [email protected]
上海策嵘生物科技有限公司[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

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