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Product No: AA0069

4-Chloro-3,5-dinitrobenzotrifluoride, 97%

Name: 4-Chloro-3,5-dinitrobenzotrifluoride
Brand: Chempure

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CAS Number

393-75-9

Formula

C7H2CIF3N2O4

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IUPAC name	2-chloro-1,3-dinitro-5-(trifluoromethyl)benzene
inchi	InChI=1S/C7H2ClF3N2O4/c8-6-4(12(14)15)1-3(7(9,10)11)2-5(6)13(16)17/h1-2H
inchi key	HFHAVERNVFNSHL-UHFFFAOYSA-N
molecular formula	C7H2ClF3N2O4
synonyms	4-CHLORO-3,5-DINITROBENZOTRIFLUORIDE 393-75-9 2-Chloro-1,3-dinitro-5-(trifluoromethyl)benzene Benzene, 2-chloro-1,3-dinitro-5-(trifluoromethyl)- 3,5-Dinitro-4-chlorobenzotrifluoride
Compound Description	4-chloro-3,5-dinitro-alpha,alpha,alpha-trifluorotoluene appears as yellow crystals.

Computed Properties

Molecular Weight:	270.55 g/mol
XLogP3:	2.5
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	7
Rotatable Bond Count:	0
Exact Mass:	269.9655187 g/mol
Monoisotopic Mass:	269.9655187 g/mol
Topological Polar Surface Area:	91.6 Å²
Heavy Atom Count:	17
Formal Charge:	0
Complexity:	303
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Danger
hazard classes and categories	Acute Tox. 4 (100%) Acute Tox. 2 (98.1%) Skin Irrit. 2 (61.2%) Eye Irrit. 2 (60.2%) STOT SE 3 (59.2%) Aquatic Acute 1 (53.4%) Aquatic Chronic 1 (55.3%)
precautionary statement codes	P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501
hazard statements	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H310 (98.1%): Fatal in contact with skin [Danger Acute toxicity, dermal] H315 (61.2%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (60.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (59.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H400 (53.4%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (55.3%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
hazards summary	Causes convulsions, methemoglobinemia, and ataxia in high-dose feeding studies of rats. Emergency treatment: Irritants. An irritant. May be absorbed through skin. Effects in high-dose animal studies include convulsions and methemoglobinemia.

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Documentation

Certificate of Analysis

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	2-chloro-1,3-dinitro-5-(trifluoromethyl)benzene
inchi	InChI=1S/C7H2ClF3N2O4/c8-6-4(12(14)15)1-3(7(9,10)11)2-5(6)13(16)17/h1-2H
inchi key	HFHAVERNVFNSHL-UHFFFAOYSA-N
molecular formula	C7H2ClF3N2O4
synonyms	4-CHLORO-3,5-DINITROBENZOTRIFLUORIDE 393-75-9 2-Chloro-1,3-dinitro-5-(trifluoromethyl)benzene Benzene, 2-chloro-1,3-dinitro-5-(trifluoromethyl)- 3,5-Dinitro-4-chlorobenzotrifluoride
Compound Description	4-chloro-3,5-dinitro-alpha,alpha,alpha-trifluorotoluene appears as yellow crystals.

Computed Properties

Molecular Weight:	270.55 g/mol
XLogP3:	2.5
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	7
Rotatable Bond Count:	0
Exact Mass:	269.9655187 g/mol
Monoisotopic Mass:	269.9655187 g/mol
Topological Polar Surface Area:	91.6 Å²
Heavy Atom Count:	17
Formal Charge:	0
Complexity:	303
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Danger
hazard classes and categories	Acute Tox. 4 (100%) Acute Tox. 2 (98.1%) Skin Irrit. 2 (61.2%) Eye Irrit. 2 (60.2%) STOT SE 3 (59.2%) Aquatic Acute 1 (53.4%) Aquatic Chronic 1 (55.3%)
precautionary statement codes	P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501
hazard statements	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H310 (98.1%): Fatal in contact with skin [Danger Acute toxicity, dermal] H315 (61.2%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (60.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (59.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H400 (53.4%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (55.3%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
hazards summary	Causes convulsions, methemoglobinemia, and ataxia in high-dose feeding studies of rats. Emergency treatment: Irritants. An irritant. May be absorbed through skin. Effects in high-dose animal studies include convulsions and methemoglobinemia.

Product No: AA0069

4-Chloro-3,5-dinitrobenzotrifluoride, 97%

Product No: AA0069

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: AA0069

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?