3-硝基三氟化苯

Description

3-Nitrobenzotrifluoride · CAS 98-46-4 · C7H4F3NO2. UNII GU6L7C6HW3. Boiling Point: 397 °F at 760 mmHg (NTP, 1992); Boiling Point: 203 °C; Melting Point: 27.7 °F (NTP, 1992).

Identification

CAS Registry Number	98-46-4
PubChem CID	7386
Molecular formula	C7H4F3NO2
IUPAC name	1-nitro-3-(trifluoromethyl)benzene
UNII (FDA)	GU6L7C6HW3

Computed Descriptors

Molecular Weight	191.11
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	191.01941286
Monoisotopic Mass	191.01941286
Topological Polar Surface Area	45.8
Heavy Atom Count	13
Formal Charge	0

Physical & Chemical Properties

Boiling Point	397 °F at 760 mmHg (NTP, 1992)
Boiling Point	203 °C
Melting Point	27.7 °F (NTP, 1992)
Melting Point	FP: -5.0 °C
Flash Point	214 °F (NTP, 1992)
Flash Point	103 °C OC.
Density	1.437 @ 15.5 °C
Vapor Density	6.59 (AIR= 1)
Vapor Pressure	0.25 [mmHg]
LogP	2.62

Physical description & handling notes

• 3-nitro-alpha,alpha,alpha-trifluorotoluene is a pale oily liquid. Insoluble in water. (NTP, 1992)
• Pale straw-colored liquid; [HSDB]
• PALE STRAW, THIN OILY LIQ
• AROMATIC ODOR
• Insoluble (NTP, 1992)
• SOL IN ORGANIC SOLVENTS; INSOL IN WATER

GHS Hazard Classification

Reported hazard statements	H302 (97.7%), H315 (98.8%), H319 (98.8%), H330 (97.7%), H335 (93%)

Documented Uses

• Used as intermediate for 3-aminobenzotrifluoride; [HSDB]
• CHEMICAL INTERMEDIATE FOR 3-AMINOBENZOTRIFLUORIDE
• NITRATION OF BENZOTRIFLUORIDE WITH CONCENTRATED NITRIC AND SULFURIC ACIDS
• ESSENTIALLY 100% AS A CHEMICAL INTERMEDIATE
• (1978) 1.03X10+7 GRAMS (PRINCPL CUSTMS DISTS)
• Benzene, 1-nitro-3-(trifluoromethyl)-: INACTIVE

Synonyms

3-Nitrobenzotrifluoride; 98-46-4; 1-Nitro-3-(trifluoromethyl)benzene; m-Nitrobenzotrifluoride; m-Nitrotrifluorotoluene; 3-(Trifluoromethyl)nitrobenzene; Benzene, 1-nitro-3-(trifluoromethyl)-; 1,3-Nitrobenzotrifluoride; 3-Trifluoromethylnitrobenzene; m-Nitrotrifluortoluol; USAF MA-5; M-(TRIFLUOROMETHYL)NITROBENZENE; 3-Nitro-alpha,alpha,alpha-trifluorotoluene; NSC 10313; m-Nitrotrifluortoluol [German]; CCRIS 2814

Frequently Asked Questions

What are the CAS number and molecular formula of 3-Nitrobenzotrifluoride?

CAS 98-46-4; molecular formula C7H4F3NO2; molecular weight — g/mol.

What other names is 3-Nitrobenzotrifluoride known by?

3-Nitrobenzotrifluoride, 98-46-4, 1-Nitro-3-(trifluoromethyl)benzene, m-Nitrobenzotrifluoride, m-Nitrotrifluorotoluene, 3-(Trifluoromethyl)nitrobenzene.

Is 3-Nitrobenzotrifluoride classified as hazardous?

Hazard statements reported: H302, H315, H319, H330, H335.

What are the key physical properties of 3-Nitrobenzotrifluoride?

Boiling Point: 397 °F at 760 mmHg (NTP, 1992); Boiling Point: 203 °C; Melting Point: 27.7 °F (NTP, 1992); Melting Point: FP: -5.0 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.