Chlornitrofen, min.98% (NMR)

Name: Chlornitrofen
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

1836-77-7

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IUPAC name	1,3,5-trichloro-2-(4-nitrophenoxy)benzene
inchi	InChI=1S/C12H6Cl3NO3/c13-7-5-10(14)12(11(15)6-7)19-9-3-1-8(2-4-9)16(17)18/h1-6H
inchi key	XQNAUQUKWRBODG-UHFFFAOYSA-N
molecular formula	C12H6Cl3NO3
synonyms	Chlornitrofen 1836-77-7 Chlornitrofen [ISO] Benzene, 1,3,5-trichloro-2-(4-nitrophenoxy)- 1,3,5-TRICHLORO-2-(4-NITROPHENOXY)BENZENE
Compound Description	Chlornitrofen is an aromatic ether, a member of chlorobenzenes and a C-nitro compound. It has a role as an EC 1.3.3.4 inhibitor and a herbicide.

Computed Properties

Molecular Weight:	318.5 g/mol
XLogP3:	4.7
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	2
Exact Mass:	316.941326 Da
Monoisotopic Mass:	316.941326 Da
Topological Polar Surface Area:	55.1 Å²
Heavy Atom Count:	19
Formal Charge:	0
Complexity:	306
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	Warning
hazard classes and categories	Aquatic Acute 1 (100%) Aquatic Chronic 1 (100%)
precautionary statement codes	P273, P391, and P501
hazard statements	H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

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Product No: DT8121

Chlornitrofen, min.98% (NMR)

Product No: DT8121

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NAME AND IDENTIFIERS

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SAFETY AND HAZARDS

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