Benzene, 2-fluoro-4-methyl-1-nitro-

2-FLUORO-4-METHYL-1-NITROBENZENE · 3-fluoro-4-nitrobenzene · PIDKD · 3-Fluor-4-nitrotoluol · 3-Fluoro-4-nitrotluene · 3-fluoro-4-Nitrotoluol · 3-FLUORO-4-NITROTOLUENE · 2-FLUORO-4-METHYL-1-NIT

https://huagongshe.com/ko/chemical/67966

Benzene, 2-fluoro-4-methyl-1-nitro- 분자 구조식

식별자 및 물리적 특성

CAS No.	446-34-4
분자식	C7H6FNO2
평균 분자량	155.13 g/mol
단동위원소 질량	155.0382566 g/mol
SMILES	Cc1ccc([N+](=O)[O-])c(F)c1
InChIKey	WZMOWQCNPFDWPA-UHFFFAOYSA-N
PubChem CID	67966
EC No.	207-166-5
DTXSID	DTXSID6060002

화학 및 물리적 성질

XLogP	2.2
극성 표면적	45.8
수소 결합 공여자 수	0
수소 결합 수용자 수	3
회전 가능 결합 수	0
무거운 원자 수	11
형식 전하	0
복잡도	157
녹는점	52-55 °C (lit.)
끓는 점	97-98 °C/3 mmHg (lit.)
밀도	1,438 g/cm3
인화점	>230 °F
저장 조건	Sealed in dry,Room Temperature
용해도	물에 불용성
물리적 상태	powder to crystal
색상	Light orange to Yellow to Green
BRN	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-Fluoro-4-nitrotoluene(446-34-4)
EPA	3-Fluoro-4-nitrotoluene (446-34-4)

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류	WarningH302 (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 exposureRespiratory 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.
Hazard Classes and Categories	Acute Tox. 4 (98%)Acute Tox. 4 (96%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (98%)
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
운송 번호(UN)	UN2811
관세 코드	29049090
위험 문구(R)	20/21/22-36/37/38
위험 표시	Xn,Xi
안전 문구(S)	26-36/37-45-37-28A-24/25
포장분류	III
위험 등급	6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

용도

3-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].