N-니트로소디페닐아민

N-나이트로소디페닐아민 · N-니트로소디페닐아민 · Ndpa · NdphA · Nitrosodiphenylamine · TJB · Redax · delacj

식별자 및 물리적 특성

CAS No.	86-30-6
분자식	C12H10N2O
평균 분자량	198.22 g/mol
단동위원소 질량	198.07931295 g/mol
SMILES	O=NN(c1ccccc1)c1ccccc1
InChIKey	UBUCNCOMADRQHX-UHFFFAOYSA-N
PubChem CID	6838
ChEMBL	CHEMBL165491
ChEBI	CHEBI:34875
EC No.	201-663-0
DTXSID	DTXSID6021030
현지명	N-니트로소디페닐아민

화학 및 물리적 성질

XLogP	3.1
극성 표면적	32.7
수소 결합 공여자 수	0
수소 결합 수용자 수	3
회전 가능 결합 수	2
무거운 원자 수	15
형식 전하	0
복잡도	178
LogP(분배 계수)	log Kow = 3.132.57/3.13
밀도	1.23 (NTP, 1992) - Denser than waterwill sink1.23 g/cm³1.23 @25 °C
Color/Form	Yellow plates from ligroinYellow plates or green crystalsYellow plates from petroleum ether
용해도	less than 1 mg/mL at 66 °F (NTP, 1992)In water, 35 mg/L at 25 °CIn water, 35.09 mg/L at 25 °CSlightly soluble in ethanol, chloroformsoluble in benzeneSoluble in acetone, ethylene dichloridesomewhat soluble in gasoline10% in ethanol10% in benzeneSolubility in water: none메탄올: 0.1 g/mL, 투명
끓는 점	101 °C268°C
Decomposition	Hazardous decomposition products formed under fire conditions - Carbon oxides, nitrogen oxides (NOx).Energy of decomposition (in range 300-500 °C) measured as 0.65 kJ/g.When heated to decomp it emits highly toxic fumes of ... /nitrogen oxides/.
녹는점	151.7 °F (NTP, 1992)66.7 °C66.5 °C65-66 °C
증기압	0.00007 [mmHg]0.1 at 25 °C (assigned by analogy, Mabey et al., 1982)
Physical Description	N-nitrosodiphenylamine appears as yellow to brown or orange powder or flakes or a black solid. Insoluble in water and denser in water. Hence sinks in water. (NTP, 1992)Yellow to brown or orange powder or flakes or a black solid[CAMEO]YELLOW FLAKES.Yellow to brown or orange powder or flakes or a black solid.
Stability/Shelf Life	Stable under recommended storage conditions.
Kovats Retention Index	1865274.9
굴절률	1.6330 (estimate)
인화점	11 °C
저장 조건	2-8°C
pKa(산도 계수)	-5.83±0.50(Predicted)
물리적 상태	Yellow to brown or orange powder or flakes
색상	노란색에서 갈색, 주황색 분말 또는 플레이크
용해도	불용성
BRN	909531
헨리 상수	2.33 at 25 °C (approximate - calculated from water solubility and vapor pressure)
안정성	안정성 가연성. 산화제와 호환되지 않습니다.
InChI	1S/C12H10N2O/c15-13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKey	UBUCNCOMADRQHX-UHFFFAOYSA-N
SMILES	O=NN(c1ccccc1)c2ccccc2
LogP(분배 계수)	3.13 at 25℃
NIST	Benzenamine, N-nitroso-N-phenyl-(86-30-6)
EPA	N-Nitrosodiphenylamine (86-30-6)

화학적 성질

N-Nitrosodiphenylamine is a yellow to orangebrown crystalline solid. Soluble in acetone, benzene, ethyl acetate, dichloromethane, carbon tetrachloride, ether and carbon disulfide, soluble in hot alcohol, slightly soluble in gasoline, insoluble in water. In the hydrochloric acid methanol solution, a shift reaction can occur, and it can be transformed into p-nitrosodiphenylamine.

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 1.9% (2 of 104) of reports.WarningH302 (48.1%): Harmful if swallowed [Warning Acute toxicity, oral]H317 (51%): May cause an allergic skin reaction [Warning Sensitization, Skin]H351 (51%): Suspected of causing cancer [Warning Carcinogenicity]H361 (37.5%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]H361d (12.5%): Suspected of damaging the unborn child [Warning Reproductive toxicity]H373 (51%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]H410 (50%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]H411 (37.5%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P203, P260, P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P318, P319, P321, P330, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 104 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 2 of 104 reports by companies.There are 10 notifications provided by 102 of 104 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
규제 정보	Chemical: Benzenamine, N-nitroso-N-phenyl-Hazard Traits - CarcinogenicityAuthoritative List - CWA 303(c)CWA 303(d)IRIS Carcinogens - B2Prop 65Report - regardless of intended function of ingredient in the productStatus: Active Update: 16-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27089Benzenamine, N-nitroso-N-phenyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

GHS 분류

This chemical does not meet GHS hazard criteria for 1.9% (2 of 104) of reports.WarningH302 (48.1%): Harmful if swallowed [Warning Acute toxicity, oral]H317 (51%): May cause an allergic skin reaction [Warning Sensitization, Skin]H351 (51%): Suspected of causing cancer [Warning Carcinogenicity]H361 (37.5%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]H361d (12.5%): Suspected of damaging the unborn child [Warning Reproductive toxicity]H373 (51%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]H410 (50%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]H411 (37.5%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P203, P260, P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P318, P319, P321, P330, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 104 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 2 of 104 reports by companies.There are 10 notifications provided by 102 of 104 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

규제 정보

Chemical: Benzenamine, N-nitroso-N-phenyl-Hazard Traits - CarcinogenicityAuthoritative List - CWA 303(c)CWA 303(d)IRIS Carcinogens - B2Prop 65Report - regardless of intended function of ingredient in the productStatus: Active Update: 16-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27089Benzenamine, N-nitroso-N-phenyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

용도

일반 설명

N-nitrosodiphenylamine appears as yellow to brown or orange powder or flakes or a black solid. Insoluble in water and denser in water. Hence sinks in water. (NTP, 1992)