2-Fluoro-6-nitrotoluene

HCID 69854CAS 769-10-8

기본 정보

표준 SMILES: Cc1c(F)cccc1[N+](=O)[O-]
InChIKey: GXPIVRKDWZKIKZ-UHFFFAOYSA-N
분자식: C7H6FNO2
평균 분자량: 155.13 g/mol
단동위원소 질량: 155.03825665

이름 및 식별자

우선 이름: 2-Fluoro-6-nitrotoluene
IUPAC: 1-fluoro-2-methyl-3-nitrobenzene
영어명: 2-Fluoro-6-nitrotoluene
분자식: C7H6FNO2
분자량: 155.13

이름 및 동의어

2-Fluoro-6-nitrotoluene769-10-81-Fluoro-2-methyl-3-nitrobenzeneBenzene, 1-fluoro-2-methyl-3-nitro-EINECS 212-203-3NSC-10333DTXSID50227689CS8J828P35NSC 103332-METHYL-3-FLUORONITROBENZENE6-NITRO-2-FLUOROTOLUENETOLUENE, 2-FLUORO-6-NITRO-

이름 더 보기

2-NITRO-6-FLUO2-Fluoro-6-nitrotolu2-Fluoro-6-nitrotluene2-fluoro-6-NitrotoluolIrbinitinib Impurity 8Irbinitinib Impurity 92-Fluoro-6-nitrotoluene98%

RefChem:87124DTXCID50150180212-203-3GXPIVRKDWZKIKZ-UHFFFAOYSA-N1-fluor-2-methyl-3-nitrobenzene2-nitro-6-fluorotolueneMFCD000071976-fluoro-2-nitrotoluene

데이터베이스 식별자

CAS: 769-10-8
PubChem CID: 69854
DTXSID: DTXSID50227689
UNII: CS8J828P35
EC Number: 212-203-3
Nikkaji: J193.147D

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 45.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 0
무거운 원자 수: 11
형식 전하: 0
복잡도: 157

물리화학적 성질

녹는점: 6.5 · 6.5-7 °C (lit.)
끓는 점: 97 °C/11 · 97 °C/11 mmHg (lit.)
밀도: 1.27 g/mL · 1.27 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.523(lit.)
인화점: 192 °F · 192 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 투명한 액체
색상: Light yellow to Amber to Dark green
Specific Gravity: 1.27 · 1.270
BRN: 2361978 · 2361978
InChI: InChI=1S/C7H6FNO2/c1-5-6(8)3-2-4-7(5)9(10)11/h2-4H,1H3
InChIKey: GXPIVRKDWZKIKZ-UHFFFAOYSA-N
SMILES: C1(F)=CC=CC([N+]([O-])=O)=C1C

화학적 성질

colorless to light yellow liqui

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (97.9%): 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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (97.9%)

안전 데이터

wgk: 3
ridadr: 2811
HS 번호: 29049090
risk_code: 20/21/22-36/37/38
hazard_code: Xn,Xi
safety_code: 26-36-28A-24/25
포장분류: III
위험 등급: 6.1
위험 참고 사항: Irritant
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야 · 2건

용도2-Fluoro-6-nitrotoluene has been used in the preparation of 4-fluoroindole via Leimgruber-Batcho procedure.

일반 설명2-Fluoro-6-nitrotoluene undergoes reduction in the presence of stannous chloride, followed by benzoylation to yield N-(3-fluoro-o-tolyl)benzamide. 2-Fluoro-6-nitrotoluene undergoes reaction with concentrated nitric acid at 100°C to yield 2-fluoro-6-nitrobenzoic acid.