CAS 3740-92-9 Fenclorim (HCID 77338)

Overview

Fenclorim is an organohalogen compound and a member of pyrimidines.

Names & identifiers

Preferred name: Fenclorim
IUPAC: 4,6-dichloro-2-phenylpyrimidine
English name: Fenclorim
Molecular formula: C10H6Cl2N2
Molecular weight: 225.07

Names & synonyms

4,6-Dichloro-2-phenylpyrimidineFenclorim3740-92-953665T9BHJNSC-27713DTXSID90190843RefChem:140119DTXCID30113334609-426-7Fenclorim [ISO]FenclorimePyrimidine, 4,6-dichloro-2-phenyl-

Show more names

SoftSOFITenclorimfemclorimfenchlorim

MFCD00754193CGA-123407NSC 27713UNII-53665T9BHJBRN 01422934,6-Dichloro-2-phenyl-pyrimidineCHEBI:819932-Phenyl-4,6-dichloropyrimidine

Database identifiers

CAS: 3740-92-9
PubChem CID: 77338
DTXSID: DTXSID90190843
ChEMBL: CHEMBL2447919
ChEBI: CHEBI:81993
UNII: 53665T9BHJ
EC Number: 609-426-7
Nikkaji: J42.294K

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 173

Experimental & physicochemical properties

LogP4.17

Physicochemical properties

Melting point: 92 · 92-93°C
Boiling point: 235.5 · 235.5±33.0 °C(Predicted)
Density: 1.363 · 1.363±0.06 g/cm3(Predicted)
storage temp.: 2 · Inert atmosphere,2-8°C
solubility: Chloroform (Slightly), DMSO (Slightly), Methanol (Sparingly)
pka: -4.69 · -4.69±0.30(Predicted)
color: Off-White to Pale Yellow
Water Solubility: Insoluble in water
BRN: 142293 · 142293
Henry's Law Constant: 5.6 · 5.6×10-1 mol/(m3Pa) at 25℃, Ebert et al. (2023)
InChI: InChI=1S/C10H6Cl2N2/c11-8-6-9(12)14-10(13-8)7-4-2-1-3-5-7/h1-6H
InChIKey: NRFQZTCQAYEXEE-UHFFFAOYSA-N
SMILES: C1(C2=CC=CC=C2)=NC(Cl)=CC(Cl)=N1
CAS DataBase Reference: 3740 · 3740-92-9(CAS DataBase Reference)
FDA UNII: 53665 T9BHJ · 53665T9BHJ
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 317 · H317-H318-H332
Precautionary statements: 261 · P261-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338
Hazard Codes: Xn
Risk Statements: 20 · 20-43
Safety Statements: 36 · 36/37
RIDADR: 3077 · 3077
WGK Germany: 2 · 2
RTECS: 8258400 · UV8258400
HS Code: 2933.59 · 2933.59.1000
HazardClass: 9 · 9
PackingGroup: III

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H317 (98.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 71 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Sens. 1 (98.6%)

Safety data

wgk: 2
rtecs: UV8258400
ridadr: 3077
hs_code: 2933.59.1000
risk_code: 20-43
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: Xn
safety_code: 36/37
hazard_class: 9
packing_group: III
Hazard statements: H317-H318-H332
Precautionary statements: P261-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338

Chemistry & industry

Applications · 2 items

DescriptionFenclorim (4,6-dichloro-2-phenylpyrimidine) is a pyrimidine herbicide safener that effectively protects rice (Oryza sativa L.) from the phytotoxicity of certain herbicides. It improves rice tolerance to chloroacetanilide herbicides by enhancing the expression of detoxifying glutathione S-transferase (GST). Compared with seed treatment with safener alone, sequential seed treatment with safener and insecticide minimizes the release of fenclorim without causing residue problems in the ecosystem and harvested rice.

UsesHerbicide safener.