4394-04-1

4394-04-1 structure

4394-04-1 structure

Name: 2-(2,6-dimethylanilino)pyridine-3-carboxylic acid
Chemical Name: 2-(2,6-dimethylanilino)pyridine-3-carboxylic acid
CAS Number: 4394-04-1
Molecular Formula: C₁₄H₁₄N₂O₂
Molecular Weight: 242.27300
Create Date: 2018-09-22 10:38:15
Modify Date: 2024-01-19 00:27:27

Name	2-(2,6-dimethylanilino)pyridine-3-carboxylic acid
Synonyms	Metanixin 2-(2',6'-Dimethylphenylamin)-3-pyridincarboxylsaeure 2-[(2,6-dimethylphenyl)amino]pyridine-3-carboxylic acid Acido nixilico 2-(2,6-xylidino)-nicotinic acid Acidum nixylicum Metanixine [INN-French] Metanixino [Spanish] 2-(2,6-dimethyl-anilino)-nicotinic acid 2-(2,6-Dimethyl-anilino)-nicotinsaeure Metanixinum [Latin] Metanixinum [INN-Latin] Metanixino [INN-Spanish] Metanixine [French] Acide nixylique

Density	1.25 g/cm3
Boiling Point	393.972ºC at 760mmHg
Molecular Formula	C₁₄H₁₄N₂O₂
Molecular Weight	242.27300
Flash Point	192.068ºC
Exact Mass	242.10600
PSA	62.22000
LogP	3.21320
Index of Refraction	1.646

CHEMICAL IDENTIFICATION

RTECS NUMBER :: QT2999350

CHEMICAL NAME :: Nicotinic acid, 2-(2,3-xylidino)-

CAS REGISTRY NUMBER :: 4394-04-1

BEILSTEIN REFERENCE NO. :: 0482454

LAST UPDATED :: 199712

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C14-H14-N2-O2

MOLECULAR WEIGHT :: 242.30

WISWESSER LINE NOTATION :: T6NJ BMR B1 C1& CVQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 2300 ug/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 22,157,1967

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 645 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 22,157,1967

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 385 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 22,157,1967

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 280 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 22,157,1967

HS Code	2933399090

2942-59-8 structure

2942-59-8

87-62-7 structure

87-62-7

~37%

4394-04-1 structure

4394-04-1

Literature: Li, Zhenghua; Xiao, Shangyou; Liang, Ronghui; Xia, Zhining Research on Chemical Intermediates, 2012 , vol. 38, # 7 p. 1691 - 1697

Precursor 2
2942-59-8 87-62-7
DownStream 1
89109-28-4

HS Code	2933399090
Summary	2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%