기본 정보
- 표준 SMILES
NNc1ccc([N+](=O)[O-])cc1- InChIKey
KMVPXBDOWDXXEN-UHFFFAOYSA-N- 분자식
- C6H7N3O2
- 평균 분자량
- 153.14 g/mol
- 단동위원소 질량
- 153.05382646
개요
4-Nitrophenylhydrazine is a orange-red leaflet or needles wetted with water. It will emit toxic oxides of nitrogen when heated to decomposition. It is slightly heavier than water and insoluble in water. It may be irritating to skin, eyes and mucous membranes. It may be toxic by ingestion. It may be explosive and sensitive to friction in the dry state. It is used as a reagent for ketones and aliphatic aldehydes.
이름 및 식별자
- 우선 이름
- (4-Nitrophenyl)hydrazine
- IUPAC
- (4-nitrophenyl)hydrazine
- 영어명
- 4-Nitrophenylhydrazine
- 분자식
- C6H7N3O2
- 분자량
- 153.14
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
100-16-3- PubChem CID
- 3310889
- DTXSID
DTXSID4059207- ChEBI
CHEBI:66931- UNII
- 2I8586432K
- EC Number
- 202-824-8
- Nikkaji
- J59.887I
물성
구조 계산 물성
- XLogP
- 1.4
- 극성 표면적
- 83.9 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 11
- 형식 전하
- 0
- 복잡도
- 137
실험 및 물리화학적 성질
Physical Description
4-Nitrophenylhydrazine is a orange-red leaflet or needles wetted with water. It will emit toxic oxides of nitrogen when heated to decomposition. It is slightly heavier than water and insoluble in water. It may be irritating to skin, eyes and mucous membranes. It may be toxic by ingestion. It may be explosive and sensitive to friction in the dry state. It is used as a reagent for ketones and aliphatic aldehydes.
Orange-red solid; [Merck Index] Orange crystalline powder; [Alfa Aesar MSDS]
물리화학적 성질
- 녹는점
- 156 °C · 156 °C (dec.)(lit.)
- 끓는 점
- 276.04 °C · 276.04°C (rough estimate)
- 밀도
- 1 · 1.00
- 굴절률
- 1.691 · 1.6910 (estimate)
- 저장 조건
- Explosives area
- 산도 계수 (pKa)
- 3.81 · 3.81±0.20(Predicted)
- 색상
- 주황색-빨간색 바늘 모양의 물질
- 수용성
- 뜨거운 물에 용해됨
- Merck
- 14 · 14,6624
- BRN
- 608107 · 608107
- NIST
- P-nitrophenyl hydrazine(100-16-3)
- EPA
- Hydrazine, (4-nitrophenyl)- (100-16-3)
화학적 성질
white to light yellow crystal powde
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.
Danger
H228 (95.1%): Flammable solid [Danger Flammable solids]
P210, P240, P241, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Not Classified
유해성 정보
Regulatory Information
Chemical: Hydrazine, (4-nitrophenyl)-
(4-Nitrophenyl)hydrazine: Does not have an individual approval but may be used under an appropriate group standard
Fire Hazards
Excerpt from ERG Guide 113 [Flammable Materials (Wet / Desensitized Explosive)]:
· Flammable/combustible material.
Health Hazards
Excerpt from ERG Guide 113 [Flammable Materials (Wet / Desensitized Explosive)]:
· Some are toxic and may be fatal if inhaled, ingested or absorbed through skin. Specifically, Dinitrophenol, wetted (UN1320); Dinitrophenolates, wetted (UN1321), Sodium dinitro-o-cresolate, wetted (UN1348); and Barium azide, wetted (UN1571) are known to be toxic.
Reactivity Profile
4-NITROPHENYLHYDRAZINE is a powerful explosive. It can SELF-IGNITE in the presence of contaminants. Auto-ignition temperature may vary for 4-nitrophenylhydrazine similar to that of hydrazine which has an autoignition of as low as 74oC in contact with iron rust. Dangerous fire hazard or severe explosion can occur when exposed to heat, flame or oxidizing agents. Severe explosion may also occur by chemical reaction with alkali metals; BaO; CaO; K; Na; NH3; Cl2; chromates; CuO; Cu++ salts; F2; H2O2; iron rust; metallic oxides; PbO2;Ni; Ni(ClO4)2; HNO3; N2O; O2; liquid O2; K2Cr2O7; Na2Cr2O7; tetryl; zinc diamide; Zn(C2H5)2. Dangerous; when heated to decomposition it emits highly toxic nitrogen compounds; may explode by heat or chemical reaction. (Sax and Lewis, 1987) under Hydrazine p. 538-539.
DOT Hazard Classification
4-Nitrophenylhydrazine, with not less than 30 percent water, by mass
UN3376
Div 4.1 Flammable solid (49 eCFR § 173.124)
PG I: the degree of danger presented by the material is great
안전 및 보호
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
First Aid
Excerpt from ERG Guide 113 [Flammable Materials (Wet / Desensitized Explosive)]:
General First Aid:
Isolation and Evacuation
Excerpt from ERG Guide 113 [Flammable Materials (Wet / Desensitized Explosive)]:
Immediate precautionary measure
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- MV8225000
- ridadr
- UN 3376 (4-NITROPHENYLHYDRAZINE, with not less than 30 % water, by mass)
- 독성
- mmo-sat 2 mmol/L AEMIDF 44,801,82
- HS 번호
- 29280000
- risk_code
- 5-11-22-36/37/38-43-21/22
- hazard_code
- F,Xn
- safety_code
- 16-26-36/37/39-37/39-36
- 포장분류
- I
- 위험 등급
- 4.1
- F 고인화성물질
- 4.6
- 위험 참고 사항
- Flammable/Harmful
화학 및 산업
용도 및 제조
응용 분야
용도4-Nitrophenylhydrazine is a nitro substituted aryl hydrazine with potential anticancer activity. Irritant.
일반 설명4-Nitrophenylhydrazine is a orange-red leaflet or needles wetted with water. 4-Nitrophenylhydrazine will emit toxic oxides of nitrogen when heated to decomposition. 4-Nitrophenylhydrazine is slightly heavier than water and insoluble in water. 4-Nitrophenylhydrazine may be irritating to skin, eyes and mucous membranes. 4-Nitrophenylhydrazine may be toxic by ingestion. 4-Nitrophenylhydrazine may be explosive and sensitive to friction in the dry state. 4-Nitrophenylhydrazine is used as a reagent for ketones and aliphatic aldehydes.
상·하류 제품 정보
상류 원료
하류 제품
공급사11 곳
추가 설명
정의ChEBI: A member of the class of phenylhydrazines that is phenylhydrazine substituted at the 4-position by a nitro group.
관련 반응
연결된 노트
불러오는 중…