2,3-Difluoro-6-nitrophenol

HCID 2733745CAS 82419-26-9

기본 정보

표준 SMILES: O=[N+]([O-])c1ccc(F)c(F)c1O
InChIKey: KEGOHDCHURMFKX-UHFFFAOYSA-N
분자식: C6H3F2NO3
평균 분자량: 175.09 g/mol
단동위원소 질량: 175.0080994

이름 및 식별자

우선 이름: 2,3-Difluoro-6-nitrophenol
IUPAC: 2,3-difluoro-6-nitrophenol
영어명: 2,3-DIFLUORO-6-NITROPHENOL
분자식: C6H3F2NO3
분자량: 175.09

이름 및 동의어

2,3-Difluoro-6-nitrophenol82419-26-9DTXSID30369995RefChem:81640DTXCID10321031624-586-8KEGOHDCHURMFKX-UHFFFAOYSA-NMFCD000422552-hydroxy-3,4-difluoronitrobenzene2,3-difluoro-6-nitro-phenolphenol, 2,3-difluoro-6-nitro-6-Nitro-2,3-difluorophenol

이름 더 보기

uoro-6-nitrophenoLDifluoro-6-nitrophenol2,3-Didluoro-6-nitrophenol2,3-Difluoro-6-nitrophenol>2,3-Difluoro-6-Nitrophenol98%2,3-Difluoro-6-nitrophenol 97%2,3-Difluoro-6-nitrophenol, 99%

2,3 difluoro 6-nitrophenol2-nitro-5,6-difluorophenolSCHEMBL5211662,3 difluoro 6-nitro phenol2,3-difluoro-6- nitrophenol2-hydroxy-3,4 difluoronitrobenzene2,3-Difluoro-6-nitrophenol, 98%SBB063663

데이터베이스 식별자

CAS: 82419-26-9
PubChem CID: 2733745
DTXSID: DTXSID30369995
EC Number: 624-586-8
Nikkaji: J92.468G

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 66.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 184

물리화학적 성질

녹는점: 60 · 60-62 °C (lit.)
끓는 점: 215.9 · 215.9±35.0 °C(Predicted)
밀도: 1.52 · 1.5200 (estimate)
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 4.77 · 4.77±0.37(Predicted)
색상: White to Light yellow to Green
BRN: 4410368 · 4410368
InChI: 1S/C6H3F2NO3/c7-3-1-2-4(9(11)12)6(10)5(3)8/h1-2,10H
InChIKey: KEGOHDCHURMFKX-UHFFFAOYSA-N
SMILES: Oc1c(F)c(F)ccc1[N+]([O-])=O

화학적 성질

yellow crystals

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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
HS 번호: 29089990
risk_code: 20/21/22-36/37/38
hazard_code: Xn,T,Xi
safety_code: 26-36-36/37/39
위험 등급: IRRITANT, IRRITANT-HARMFUL
위험 참고 사항: Toxic
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids