니트랄린

니트랄린 · 니트랄린(NITRALIN) · Niralin · Planuin · sd11831 · NITRALIN · Planavin · SD 11831

https://huagongshe.com/ko/chemical/20848

식별자 및 물리적 특성

CAS No.	4726-14-1
분자식	C13H19N3O6S
평균 분자량	345.37 g/mol
단동위원소 질량	345.09945633 g/mol
SMILES	CCCN(CCC)c1c([N+](=O)[O-])cc(S(C)(=O)=O)cc1[N+](=O)[O-]
InChIKey	UMKANAFDOQQUKE-UHFFFAOYSA-N
PubChem CID	20848
ChEMBL	CHEMBL1256763
ChEBI	CHEBI:82190
EC No.	225-219-0
DTXSID	DTXSID9042203
현지명	니트랄린

화학 및 물리적 성질

XLogP	3.7
극성 표면적	137
수소 결합 공여자 수	0
수소 결합 수용자 수	7
회전 가능 결합 수	6
무거운 원자 수	23
형식 전하	0
복잡도	491
SpringerMaterials Properties	Fusion temperature
농약	HerbicidesActive substance -> EU Pesticides database: Not approvedPesticides -> Herbicides, Nitroaromatic
냄새	MILD CHEMICAL ODOR
밀도	greater than 1 at 68 °F (est) (USCG, 1999)1.3809 (rough estimate)
Color/Form	GOLDEN-ORANGE CRYSTALLINE SOLIDFINE CRYSTALLINE, LIGHT YELLOW TO ORANGEOrange prisms
용해도	SOLUBILITY @ 22 °C: 0.6 MG/L IN WATER360 G/L IN ACETONE330 G/L IN DIMETHYLSULFOXIDEPOORLY SOL IN COMMON HYDROCARBON AND AROMATIC SOLVENTS AND IN COMMON ALCOHOLSSolubility at 25 °C: methanol 1.1%, isopropanol 0.18%, benzene less than 12.5%
Corrosivity	Noncorrosive
Human Drugs	Pharmaceuticals
끓는 점	greater than 437 °F at 760 mmHg (decomposes) (USCG, 1999)507.2±50.0 °C(Predicted)
녹는점	304 °F (USCG, 1999)151-152 °C151-152℃
증기압	0.00000001 [mmHg]9.3X10-9 mm Hg at 20 °C3.3X10-8 mm Hg at 30 °C
Physical Description	Nitralin is a light yellow to orange solid with a mild odor. Sinks in water. (USCG, 1999)Light yellow to orange solid[HSDB] Yellow solid[MSDSonline]
굴절률	1.6390 (estimate)
저장 조건	0-6°C
pKa(산도 계수)	-3.17±0.50(Predicted)
용해도	0.6mg/L(25℃)
BRN	2821337
헨리 상수	1.4×103 mol/(m3Pa) at 25℃, HSDB (2015)
EPA	Nitralin (4726-14-1)

안전 및 규제

GHS 분류	WarningH400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]P273, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory.
규제 정보	2002/2076
운송 라벨(DOT)	Class 9
화재 위험	Special Hazards of Combustion Products: Irritating oxides of sulfur and nitrogen are formed in fire.
건강 유해성	Dust irritates eyes. Other forms of exposure produce no observable symptoms. (USCG, 1999)
유해성 요약	A worker developed skin sensitivity with cross-reaction to dinitrochlorobenzeneNo effect levels of 2000 mg/kg diet in 2-year feeding studies of rats and dogs[HSDB] Dust is an eye irritant[CAMEO] May cause irritation[MSDSonline]
반응성 그룹	Nitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Special Reports	DINITROANILINE HERBICIDES. COMPARATIVE SUMMARYCHEMOSPHERE 9 (1): 67-9 (1980). A COMPARATIVE SUMMARY OF DINITROANILINE HERBICIDES. REVIEW OF DINITROANILINE HERBICIDES IS GIVEN. THE CHEMICAL STRUCTURES ARE INCLUDED. METABOLITES, THE QUALITATIVE COMPOSITION OF RESIDUES, LOCATION IN WHICH VARIOUS METABOLITES MAY BE FOUND FOLLOWING AGRICULTURAL USAGE AND PERSISTENCE ARE DISCUSSED.
Reactivity Profile	NITRALIN decomposes vigorously in a self-sustaining reaction at or above 225 °C (USCG, 1999).
Air and Water Reactions	No rapid reaction with air. No rapid reaction with water.
Hazard Classes and Categories	Aquatic Acute 1 (100%)
Explosive Limits and Potential	Decomposes vigorously and exothermically at about 225 °C /Differential Thermal Analyzer at 5C/min/. The estimated heat of decomposition is 250 cal/g.
소화	Fire Extinguishing Agents: Water (USCG, 1999)

용도

Herbicide.

일반 설명

Light yellow to orange solid with a mild odor. Sinks in water.