4-Nitrodiphenylamine (HCID 13271)

이름 및 식별자

우선 이름: 4-Nitrodiphenylamine
IUPAC: 4-nitro-N-phenylaniline
현지명: 4-나이트로디페닐아민
영어명: 4-Nitrodiphenylamine
분자식: C12H10N2O2
분자량: 214.22

이름 및 동의어

4-NITRODIPHENYLAMINE836-30-64-Nitro-N-phenylanilinep-Nitrodiphenylamine(4-nitrophenyl)phenylamineBenzenamine, 4-nitro-N-phenyl-Diphenylamine, 4-nitro-p-Nitrophenylphenylamine4-Nitrodifenylamin4-NdpaN-(4-Nitrophenyl)benzenamineAmine, diphenyl, 4-nitro-

이름 더 보기

4-나이트로디페닐아민4-나이트로다이페닐아민4NDPAp-나이트로페닐아민벤젠아민, 4-나이트로-N-페닐NSC 33836TIMTEC-BB SBB0080554-nitro-diphenylaminGlycerol Impurity 77diphenyl,4-nitro-aminLABOTEST-BB LT01487848

4-Nitro-diphenylamineMFCD000073014-nitro-N-phenyl-anilineEINECS 212-646-2BRN 2051910MLS000584664DTXSID8027323AI3-02915

데이터베이스 식별자

CAS: 836-30-6
PubChem CID: 13271
DTXSID: DTXSID8027323
ChEMBL: CHEMBL1323785
UNII: 5ZOC179N5D
EC Number: 212-646-2
Nikkaji: J38.267A

물성

구조 계산 물성

XLogP: 3.7
극성 표면적: 57.9 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 226

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)

SpringerMaterials PropertiesBoiling point

LogP · 2건

3.82

3.74

Color/FormYELLOW NEEDLES OR TABLETS FROM CARBON TETRACHLORIDE

Solubility · 3건

INSOL IN WATER; VERY SOL IN ALCOHOL, ACETIC ACID

SOL IN CONCN SULFURIC ACID

Solubility in water: none

Flash Point · 2건

190 °C

190 °C o.c.

물리화학적 성질

녹는점: 132 · 132-135 °C (lit.)
끓는 점: 211 °C · 211 °C (30 mmHg)
밀도: 1.2042 · 1.2042 (rough estimate)
굴절률: 1.666 · 1.6660 (estimate)
인화점: 190 °C · 190°C
저장 조건: Refrigerator
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): -2.6 · -2.60±0.20(Predicted)
색상: 주황색에서 갈색으로
수용성: 불용성
BRN: 2051910 · 2051910
Henry's Law Constant: 2.4 · 2.4×103 mol/(m3Pa) at 25℃, Zhang et al. (2010)
InChI: 1S/C12H10N2O2/c15-14(16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13H
InChIKey: XXYMSQQCBUKFHE-UHFFFAOYSA-N
SMILES: [O-][N+](=O)c1ccc(Nc2ccccc2)cc1
NIST: N-(4-Nitrophenyl)-N-phenylamine(836-30-6)
EPA: 4 · 4-Nitrodiphenylamine (836-30-6)

화학적 성질

Orange Crystalline Solid

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 3.6% (3 of 83) of reports.

Warning

H315 (91.6%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 83 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

유해성 정보

Regulatory InformationChemical: Benzenamine, 4-nitro-N-phenyl-

Fire HazardsCombustible. Gives off irritating or toxic fumes (or gases) in a fire.

Hazards SummaryCan induce methemoglobinemia; [ICSC] Emergency treatment: Methemoglobinemia; [HSDB] An irritant; [Alfa Aesar MSDS]

UN ClassificationUN Hazard Class: 4.1; UN Pack Group: III

Chemical DangersDecomposes on heating and on burning. This produces toxic fumes of nitrogen oxides. Reacts with strong oxidants.

Hazard Classes and Categories · 2건

Skin Irrit. 2 (91.6%)

Specific target organ toxicity - Repeated exposure - Category 1 (blood system), Category 2 (kidney)

안전 및 보호

Fire FightingUse water spray, powder, foam, carbon dioxide.

First Aid Measures · 4건

Fresh air, rest. Refer for medical attention.

Remove contaminated clothes. Rinse skin with plenty of water or shower.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Refer for medical attention .

Safe StorageSeparated from strong oxidants and strong bases. Cool. Dry.

Spillage Disposal · 1건

Personal protection: self-contained breathing apparatus. Do NOT let this chemical enter the environment. Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting. Carefully collect remainder. Then store and dispose of according to local regulations.

Eye PreventionWear safety goggles or eye protection in combination with breathing protection.

Fire PreventionNO open flames.

독성 정보

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect

Exposure RoutesThe substance can be absorbed into the body by inhalation and by ingestion.

Signs and Symptoms · 2건

Blue lips, fingernails and skin. Dizziness. Headache. Confusion. Convulsions. Nausea. Unconsciousness.

See Inhalation.

ICSC Environmental DataThe substance is very toxic to aquatic organisms. It is strongly advised not to let the chemical enter into the environment. The substance may cause long-term effects in the aquatic environment.

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: JJ9600000
ridadr: 3077
HS 번호: 29214400
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39-36
포장분류: III
위험 등급: 9
기존화학 물질: 97-3-62
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids
유해 물질 데이터: 836-30-6(Hazardous Substances Data)

화학 및 산업

용도 및 제조

UsesUsed as a chemical intermediate; [OECD SIDS: Benzenamine, 4-nitro-N-phenyl - 1998]

General Manufacturing InformationBenzenamine, 4-nitro-N-phenyl-: ACTIVE

응용 분야

용도4-Nitrodiphenylamine was used to study reduction of nitrated diphenylamine derivatives in sediment water batch enrichments and dense cell suspensions of anaerobic, aromatic-compound-mineralizing pure bacterial cultures.

일반 설명4-Nitrodiphenylamine undergoes heterogeneous catalytic transfer hydrogenation to form p-phenylenediamines. 4-Nitrodiphenylamine is used as stabilizer for propellants and explosives.