ChemicalBook CAS DataBase List 402-54-0

402-54-0

Name	4-Nitrobenzotrifluoride
CAS	402-54-0
EINECS(EC#)	206-948-3
Molecular Formula	C7H4F3NO2
MDL Number	MFCD00007358
Molecular Weight	191.11
MOL File	402-54-0.mol

Synonyms

4-NITRO-A,A,A-TRIFLUOROTOLUENE 4-NITRO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE 4-NITROBENZOTRIFLUORIDE P-TRIFLUOROMETHYLNITROBENZENE TIMTEC-BB SBB008524 1-Nitro-4-(trifluoromethyl)benzene 1-Nitro-4-trifluoromethyl-benzene 4-(Trifluoromethyl)nitrobenzene Benzene, 1-nitro-4-(trifluoromethyl)- nitrobenzotrifluorides p-Nitro(trifluoromethyl)benzene p-Nitrobenzotrifluoride Toluene, 4-nitro-alpha,alpha,alpha-trifluoro- 4-Nitro-alpha,alpha,alpha-trifluorotoluene~4-(Trifluoromethyl)nitrobenzene 4-Nitrotrifluorotoluene 4-Nitrobenzotrifluoride,98% 4-Nitrobenzotrifluoride 98% 4-Nitro-α,α,α-trifluorotoluene-D4

Chemical Properties

Appearance	colorless to light yellow liqui
Melting point	38-40 °C (lit.)
Boiling point	81-83 °C/10 mmHg (lit.)
density	1.3910 (estimate)
Fp	191 °F
solubility	soluble in Methanol
form	Crystalline Powder, Crystals or Crystalline Mass
color	White to yellow
Stability:	Stable. Incompatible with strong bases, strong oxidizing agents, strong reducing agents.
Exposure limits	ACGIH: TWA 2.5 mg/m3 NIOSH: IDLH 250 mg/m3
InChI	1S/C7H4F3NO2/c8-7(9,10)5-1-3-6(4-2-5)11(12)13/h1-4H
InChIKey	XKYLCLMYQDFGKO-UHFFFAOYSA-N
SMILES	[O-][N+](=O)c1ccc(cc1)C(F)(F)F
CAS DataBase Reference	402-54-0(CAS DataBase Reference)
NIST Chemistry Reference	4-Nitro-alpha,alpha,alpha-trifluorotoluene(402-54-0)
EPA Substance Registry System	402-54-0(EPA Substance)

Safety Data

Hazard Codes	T+,T,Xi
Risk Statements	R22:Harmful if swallowed. R26:Very Toxic by inhalation. R36/37/38:Irritating to eyes, respiratory system and skin . R21/22:Harmful in contact with skin and if swallowed . less more
Safety Statements	S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) . S36/37:Wear suitable protective clothing and gloves . S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . less more
RIDADR	UN 3431 6.1/PG 2
WGK Germany	3
Hazard Note	Toxic/Irritant
HazardClass	6.1
PackingGroup	II
HS Code	29049090
Storage Class	6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials
Hazard Classifications	Acute Tox. 2 Inhalation Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3

Hazard Information

General Description

A thin, oily straw colored liquid with a fishlike odor. May be toxic by ingestion, inhalation and skin absorption. Insoluble in water and denser than water. Used to make other chemicals.

Reactivity Profile

Organonitrate compounds range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. The aromatic nitro compounds may explode in the presence of a base such as sodium hydroxide or potassium hydroxide even in the presence of water or organic solvents. The explosive tendencies of aromatic nitro compounds are increased by the presence of multiple nitro groups.

Air & Water Reactions

Insoluble in water.

Health Hazard

Highly toxic, may be fatal if inhaled, swallowed or absorbed through skin. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution.

Fire Hazard

Combustible material: may burn but does not ignite readily. Containers may explode when heated. Runoff may pollute waterways. Substance may be transported in a molten form.

Chemical Properties

colorless to light yellow liqui

Synthesis Reference(s)

Synthesis, p. 932, 1980 DOI: 10.1055/s-1980-29276
Tetrahedron Letters, 32, p. 91, 1991 DOI: 10.1016/S0040-4039(00)71226-3

Material Safety Data Sheet(MSDS)

Spectrum Detail

Well-known Reagent Company Product Information

Supplier

J & K SCIENTIFIC LTD.

Telephone18210857532 18210857532

Websitehttps://www.jkchemical.com

Meryer (Shanghai) Chemical Technology Co., Ltd.

Telephone4006356688 18621169109

Websitehttp://www.x-labseek.com/

Alfa Aesar

Telephone400-6106006

Websitehttp://chemicals.thermofisher.cn

TAIYUAN RHF CO.,LTD.

Telephone+86 351 7031519

Websitehttp://www.rhfchem.com/

TCI (Shanghai) Development Co., Ltd.

Telephone021-67121386

Websitehttps://www.tcichemicals.com/CN/zh/

Energy Chemical

Telephone 400-0056266

Websitehttp://www.energy-chemical.com

Capot Chemical Co., Ltd

Telephone+86 (0) 571 85 58 67 18

Websitehttp://www.capotchem.com/

JinYan Chemicals(ShangHai) Co.,Ltd.

Telephone13817811078

Websitehttp://www.jingyan-chemical.com/

Shanghai Hanhong Scientific Co.,Ltd.

Telephone021-54306202 13764082696

Websitehttps://www.hanhongsci.com

Shandong Xiya Chemical Co., Ltd

Telephone13355009207 13355009207

Websitehttp://www.xiyashiji.com

China Langchem Inc.

Telephone0086-21-58956006

Websitehttps://www.chemicalbook.com/ShowSupplierProductsList19141/0_EN.htm

Nanjing Vital Chemical Co., Ltd.

TelephonePlease Send Email 18652950785

Websitehttps://www.chemicalbook.com/ShowSupplierProductsList15337/0_EN.htm

Shanghai Sphchem Co., Ltd.

Telephone021-56491756 13512199871

Websitehttp://www.panhongchem.com

Beijing Taiya Jie Technology Development Co., Ltd.

Telephone021-33690831-8001 13552411790;18616022633

Websitehttp://www.tyj-chem.com/

Tianjin Jinyuda Chemical Co., Ltd.

Telephone022-58013646 13011382049

Websitehttp://www.jinyudachem.com

Suzhou Sibian Chemical Technology Co.,Ltd.

Telephone0512-65617459 18915409046

Websitehttp://www.sibian-chem.com

Thermo Fisher Scientific

Telephone800-810-5118

Websitehttp://www.thermo.com.cn

Beijing innoChem Science & Technology Co.,Ltd.

Telephone400-810-7969 010-59572699

Websitehttp://www.inno-chem.com.cn

1of4

Related Products

Send Inquriy