4-氯-3,5-二硝基三氟化苯

Description

3,5-Dinitro-4-Chloro Benzotrifluoride · CAS 393-75-9 · C7H2ClF3N2O4. UNII T97IUB50MN. Melting Point: 133 to 136 °F (NTP, 1992); Flash Point: 126 °C; Vapor Pressure: 0.000134 [mmHg].

Identification

CAS Registry Number	393-75-9
PubChem CID	9809
Molecular formula	C7H2ClF3N2O4
IUPAC name	2-chloro-1,3-dinitro-5-(trifluoromethyl)benzene
UNII (FDA)	T97IUB50MN

Computed Descriptors

Molecular Weight	270.55
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	0
Exact Mass	269.9655187
Monoisotopic Mass	269.9655187
Topological Polar Surface Area	91.6
Heavy Atom Count	17
Formal Charge	0

Physical & Chemical Properties

Melting Point	133 to 136 °F (NTP, 1992)
Flash Point	126 °C
Vapor Pressure	0.000134 [mmHg]
LogP	2.5

Physical description & handling notes

• 4-chloro-3,5-dinitro-alpha,alpha,alpha-trifluorotoluene appears as yellow crystals. (NTP, 1992)
• Other Solid; Dry Powder
• Yellow solid; [CAMEO] Yellow crystalline solid; [MSDSonline]

GHS Hazard Classification

Reported hazard statements	H302, H332 (21.2%), H310 (77.3%), H315 (69.7%), H317 (22%), H319 (47.7%), H335 (46.2%), H400 (41.7%)

Documented Uses

• Used as a chemical intermediate for herbicides; [HSDB]
• INTERMEDIATE IN SYNTHESIS OF HERBICIDE TRIFLURALIN
• CHEM INT FOR HERBICIDES (EG, TREFLAN)
• REACTION OF P-CHLOROTOLUENE WITH HYDROGEN FLUORIDE TO PRODUCE 4-TRIFLUOROMETHYLCHLOROBENZENE, WHICH IS THEN REACTED WITH NITRIC AND SULFURIC ACIDS
• (1978) PROBABLY GREATER THAN 2.27X10+6 GRAMS
• Benzene, 2-chloro-1,3-dinitro-5-(trifluoromethyl)-: ACTIVE

Synonyms

4-CHLORO-3,5-DINITROBENZOTRIFLUORIDE; 393-75-9; 2-Chloro-1,3-dinitro-5-(trifluoromethyl)benzene; 3,5-Dinitro-4-chlorobenzotrifluoride; Benzene, 2-chloro-1,3-dinitro-5-(trifluoromethyl)-; CHLORALIN; 1-Chloro-2,6-dinitro-4-(trifluoromethyl)benzene; 2,6-Dinitro-4-trifluoromethylchlorobenzene; 4-(Trifluoromethyl)-2,6-dinitrochlorobenzene; DTXSID8024781; T97IUB50MN; 4-Chloro-3,5-dinitro-alpha,alpha,alpha-trifluorotoluene; 4-Chloro-alpha,alpha,alpha-trifluoro-3,5-dinitrotoluene; NSC-88274; DTXCID604781; Toluene, 4-chloro-alpha,alpha,alpha-trifluoro-3,5-dinitro-

Frequently Asked Questions

What are the CAS number and molecular formula of 3,5-Dinitro-4-Chloro Benzotrifluoride?

CAS 393-75-9; molecular formula C7H2ClF3N2O4; molecular weight — g/mol.

What other names is 3,5-Dinitro-4-Chloro Benzotrifluoride known by?

4-CHLORO-3,5-DINITROBENZOTRIFLUORIDE, 393-75-9, 2-Chloro-1,3-dinitro-5-(trifluoromethyl)benzene, 3,5-Dinitro-4-chlorobenzotrifluoride, Benzene, 2-chloro-1,3-dinitro-5-(trifluoromethyl)-, CHLORALIN.

Is 3,5-Dinitro-4-Chloro Benzotrifluoride classified as hazardous?

Hazard statements reported: H302, H332, H310, H315, H317.

What are the key physical properties of 3,5-Dinitro-4-Chloro Benzotrifluoride?

Melting Point: 133 to 136 °F (NTP, 1992); Flash Point: 126 °C; Vapor Pressure: 0.000134 [mmHg]; LogP: 2.5.

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.