Benzene, 2-fluoro-4-methyl-1-nitro- (HCID 67966)

이름 및 식별자

우선 이름: Benzene, 2-fluoro-4-methyl-1-nitro-
IUPAC: 2-fluoro-4-methyl-1-nitrobenzene
영어명: 3-Fluoro-4-nitrotoluene
분자식: C7H6FNO2
분자량: 155.13

이름 및 동의어

3-Fluoro-4-nitrotoluene446-34-42-Fluoro-4-methyl-1-nitrobenzeneBenzene, 2-fluoro-4-methyl-1-nitro-gamma-Cyclodextrin, 2-hydroxypropyl ethersEINECS 207-166-5NSC 25756AI3-52229DTXSID6060002RefChem:562575DTXCID4040343207-166-5

이름 더 보기

3-fluoro-4-nitrobenzenePIDKD3-Fluor-4-nitrotoluol3-Fluoro-4-nitrotluene3-fluoro-4-Nitrotoluol2-FLUORO-4-METHYL-1-NIT3-Fluoro-4-nitrotoluene>3-Fluoro-4-nitrotoluene 99%

MFCD000070535-Methyl-2-nitrofluorobenzene2-fluoro-4-methyl-1-nitro-benzene2-Fluoro-4-methylnitrobenzeneNSC257563-fluoro4-nitrotoluene4-nitro-3-fluorotoluene3-fluoro-4-nitro toluene

데이터베이스 식별자

CAS: 446-34-4
PubChem CID: 67966
DTXSID: DTXSID6060002
EC Number: 207-166-5
Nikkaji: J196.142J

물성

구조 계산 물성

XLogP: 2.2
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: 52 · 52-55 °C (lit.)
끓는 점: 97 · 97-98 °C/3 mmHg (lit.)
밀도: 1 · 1,438 g/cm3
인화점: 230 °F · >230 °F
저장 조건: Sealed in dry,Room Temperature
수용성: 물에 불용성
물리적 상태: powder to crystal
색상: Light orange to Yellow to Green
BRN: 2502584 · 2502584
InChI: InChI=1S/C7H6FNO2/c1-5-2-3-7(9(10)11)6(8)4-5/h2-4H,1H3
InChIKey: WZMOWQCNPFDWPA-UHFFFAOYSA-N
SMILES: C1([N+]([O-])=O)=CC=C(C)C=C1F
NIST: 3 · 3-Fluoro-4-nitrotoluene(446-34-4)
EPA: 3 · 3-Fluoro-4-nitrotoluene (446-34-4)

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (98%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (96%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (98%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (98%): 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 50 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 (96%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (98%)；STOT SE 3 (98%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN2811
HS 번호: 29049090
risk_code: 20/21/22-36/37/38
hazard_code: Xn,Xi
safety_code: 26-36/37-45-37-28A-24/25
포장분류: III
위험 등급: 6.1
위험 참고 사항: Irritant
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

용도 및 제조

General Manufacturing InformationBenzene, 2-fluoro-4-methyl-1-nitro-: INACTIVE

응용 분야

용도3-Fluoro-4-nitrotoluene has been used in the preparation of IκB kinase (IKK) inhibitor, BMS [N1-(1,8-dimethylimidazo[1,2-a]quinolin-4-yl)-ethane-1,2-diamine].