4-플루오로-2-니트로톨루엔

4-Fluoro-2-nitrotoluene

HCID 67965CAS 446-10-6

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1ccc(F)cc1[N+](=O)[O-]
InChIKey: SKWTUNAAJNDEIK-UHFFFAOYSA-N
분자식: C7H6FNO2
평균 분자량: 155.13 g/mol
단동위원소 질량: 155.0382566

이름 및 식별자

우선 이름: 4-Fluoro-2-nitrotoluene
IUPAC: 4-fluoro-1-methyl-2-nitrobenzene
현지명: 4-플루오로-2-니트로톨루엔
영어명: 4-Fluoro-2-nitrotoluene
분자식: C7H6FNO2
분자량: 155.13

이름 및 동의어

4-Fluoro-2-nitrotoluene446-10-64-Fluoro-1-methyl-2-nitrobenzeneEINECS 207-161-8SKWTUNAAJNDEIK-UHFFFAOYSA-DTXSID80196233NSC 60725RefChem:523134DTXCID90118724207-161-8InChI=1/C7H6FNO2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,1H32-nitro-4-fluorotoluene

이름 더 보기

4-플루오로-2-니트로톨루엔Fluoronitrotoluene4Afatinib Impurity 972-nitro-4-fluorotoluol2-Nitri-4-fluorotoluene4-fluoro-2-nitrobenzene4-Fluoro-2-nitrotoluene98%

Benzene, 4-fluoro-1-methyl-2-nitro-MFCD00007200Toluene, 4-fluoro-2-nitro-4-fluoro-1-methyl-2-nitro-benzeneNSC-607254-fluoro-2-nitro tolueneNSC607254-fluoronitrotoluene

데이터베이스 식별자

CAS: 446-10-6
PubChem CID: 67965
DTXSID: DTXSID80196233
UNII: VC9M78LMH5
EC Number: 207-161-8
Nikkaji: J149.802I

물성

구조 계산 물성

XLogP: 2.5
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: 27 °C · 27 °C(lit.)
끓는 점: 138 · 138-139 °C83 mm Hg(lit.)
밀도: 1.26 · 1.26
굴절률: 20 · n20/D 1.522(lit.)
인화점: 210 °F · 210 °F
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 액체
Specific Gravity: 1.26 · 1.260
색상: 투명한 노란색에서 호박색까지
BRN: 1946051 · 1946051
InChI: InChI=1S/C7H6FNO2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,1H3
InChIKey: SKWTUNAAJNDEIK-UHFFFAOYSA-N
SMILES: C1(C)=CC=C(F)C=C1[N+]([O-])=O
NIST: 4 · Benzene, 4-fluoro-1-methyl-2-nitro-(446-10-6)

화학적 성질

colorless to light yellow liqui

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (98%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (14.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (95.9%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (95.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (14.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (93.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (98%)；Acute Tox. 4 (14.3%)；Skin Irrit. 2 (95.9%)；Eye Irrit. 2 (95.9%)；Acute Tox. 4 (14.3%)；STOT SE 3 (93.9%)