N-Phenylhydroxylamine

Phenylhydroxylamine · NCI C-60093 · N-HYDROXYANILINE · N-HYDROXYLANILINE · Hydroxyaminobenzene · N-Phenylhydroxyamine · N-Hydroxybenzenamine · N-Phenylhydroxylamin

https://huagongshe.com/ko/chemical/7518

식별자 및 물리적 특성

CAS No.	100-65-2
분자식	C6H7NO
평균 분자량	109.13 g/mol
단동위원소 질량	109.05276384 g/mol
SMILES	ONc1ccccc1
InChIKey	CKRZKMFTZCFYGB-UHFFFAOYSA-N
PubChem CID	7518
ChEMBL	CHEMBL320474
ChEBI	CHEBI:28902
EC No.	202-875-6
DTXSID	DTXSID3025889

화학 및 물리적 성질

XLogP	0.8
극성 표면적	32.3
수소 결합 공여자 수	2
수소 결합 수용자 수	2
회전 가능 결합 수	1
무거운 원자 수	8
형식 전하	0
복잡도	59.5
물질 분류	Nitrogen Compounds -> Hydroxylamines
Color/Form	NEEDLES FROM SATURATED SODIUM CHLORIDE SOLNNEEDLES FROM WATER, BENZENE OR PETROLEUM ETHER SOLN
용해도	Soluble in hot water (NTP, 1992)VERY SOL IN CHLOROFORMINSOL IN PETROLEUM ETHERFREELY SOL IN ALCOHOL, CARBON DISULFIDE, DIL MINERAL ACID, ETHER, HOT BENZENE, ACETIC ACID
녹는점	181 to 183 °F (NTP, 1992)82 °C80-84℃
증기압	0.00795 [mmHg]
Physical Description	N-phenylhydroxylamine appears as tan to brown crystals. (NTP, 1992)Solid[Merck Index] Tan to brown solid[CAMEO]
Stability/Shelf Life	DETERIORATES ON STORAGE
끓는 점	204.59°C (rough estimate)
밀도	1.1143 (rough estimate)
굴절률	1.5444 (estimate)
저장 조건	-20°C
pKa(산도 계수)	9.00±0.70(Predicted)
물리적 상태	고체
색상	연한 갈색
용해도	20g/L(5℃)
안정성	불안정 - 보관 시 성능이 저하됩니다. 강한 산화제와 호환되지 않습니다.
InChI	1S/C6H7NO/c8-7-6-4-2-1-3-5-6/h1-5,7-8H
InChIKey	CKRZKMFTZCFYGB-UHFFFAOYSA-N
SMILES	ONc1ccccc1
EPA	Phenylhydroxylamine (100-65-2)

화학적 성질

tan powder or crystals

안전 및 규제

응급 처치
GHS 분류	DangerH301 (97.6%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory.
운송 라벨(DOT)	Poison
화재 위험	Flash point data for this chemical are not available but it is probably nonflammable. (NTP, 1992)
건강 유해성	SYMPTOMS: This compound may cause irritation on contact with skin or mucous me.
유해성 요약	Occupational cases of severe poisoning have been reportedMarkedly increases sister chromatid exchange in cultured human fibroblastsCauses methemoglobinemia in rats and miceLethal-dosed rats did not exhibit methemoglobin levels sufficiently high to cause death by anoxia, suggesting that methemoglobinemia is not responsible for acute toxicityEmergency treatment: Methemoglobinemia[HSDB] An irritant[CAMEO] Irritating to human skinCauses hematuria and methemoglobinemia in subcutaneous, lethal-dose studies of rats and rabbitsRepeated dose studies of rats produce weight loss and changes to blood[RTECS] May cause irritation[Aldrich MSDS]
반응성 그룹	Alcohols and Polyols
Reactivity Profile	N-PHENYLHYDROXYLAMINE neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides.
Air and Water Reactions	Soluble in hot water.
Hazard Classes and Categories	Acute Tox. 3 (97.6%)
소화	Fires involving this chemical should be controlled with a dry chemical, carbon dioxide, foam or halon extinguisher. (NTP, 1992)

용도

Manufacture of cupferron.

일반 설명

Tan to brown crystals.

제조 및 합성 방법

제조 방법

To a dispersion of 180 gm (2.75 gm-atom) of zinc dust in 500 ml of 50% aqueous ethanol, with vigorous stirring, is added 130 ml (156 gm, 1.27 mole) of nitrobenzene. The reaction is initiated by the dropwise addition of an aqueous ammonium chloride solution and can thereafter be maintained at a controllable rate by the cautious addition of the remaining ammonium chloride solution. The reaction temperature rises during this reduction step. Once reflux has subsided, the basic zinc salts are filtered off using a sintered glass funnel. The light green filtrate is cooled in an ice-salt mixture to precipitate the product. The yield is 100 gm (72.2%), m.p. 81°C. The reduction of 2-methyl-2-nitropropane is carried out in a similar manner at 10-20°C to afford a 68% yield of N-t-butylhydroxylamine (m.p. 60-62°C).