3,5-Dinitroaniline (HCID 12068)

개요

Dinitroaniline appears as a yellow colored needle-like solid. Insoluble in water and denser than water. Toxic by ingestion and inhalation. May irritate skin and eyes. Used to make dyes and ink.

이름 및 식별자

우선 이름: 3,5-Dinitroaniline
IUPAC: 3,5-dinitroaniline
현지명: 3,5-디니트로아닐린
영어명: 3,5-Dinitroaniline
분자식: C6H5N3O4
분자량: 183.12

이름 및 동의어

3,5-DINITROANILINE618-87-1Aniline, 3,5-dinitro-Benzenamine, 3,5-dinitro-CCRIS 3109NSC 284EINECS 210-567-8BRN 06488110AHR6K1N73NSC-2841-amino-3,5-dinitrobenzeneDTXSID0044151

이름 더 보기

3,5-다이나이트로아닐린3,5-디나이트로아닐린3,5-디니트로아닐린3,5-디나이트로아닐린(3,5-DINITROANILINE)3,5-dinitro-anilinTIMTEC-BB SBB0037283,5-Dinitroaniline>Aniline, 3,5-dinitro-3,5-dinitro-benzenaminLABOTEST-BB LTBB0006293,5-DINITROANILINE 98+%3,5-Dinitroaminobenzene

(3,5-DINITROPHENYL)AMINEAniline, dinitro-RefChem:487069DTXCID8024151Benzenamine, 3,5-dinitro-(9CI)BENZENAMINE, AR, AR-DINITRO-210-567-8DINITROANILINE

데이터베이스 식별자

CAS: 26471-56-7、618-87-1
PubChem CID: 12068
DTXSID: DTXSID0044151
UNII: 0AHR6K1N73
EC Number: 210-567-8
Nikkaji: J60.423B

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 118 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 0
무거운 원자 수: 13
형식 전하: 0
복잡도: 199

실험 및 물리화학적 성질

Chemical ClassesReactive agents - 3rd degree

SpringerMaterials PropertiesDensity

LogP1.89

Physical DescriptionDinitroaniline appears as a yellow colored needle-like solid. Insoluble in water and denser than water. Toxic by ingestion and inhalation. May irritate skin and eyes. Used to make dyes and ink.

물리화학적 성질

녹는점: 160 · 160-162 °C(lit.)
끓는 점: 316.77 °C · 316.77°C (rough estimate)
밀도: 1.601 · 1.6010
굴절률: 1.691 · 1.6910 (estimate)
저장 조건: room temp
수용성: 물에 거의 녹지 않음
산도 계수 (pKa): 1 · pK1:0.229(+1) (25°C)
물리적 상태: 가루
색상: 노란색에서 갈색을 띤 노란색
BRN: 648811 · 648811
주요 응용: 진단 검사 제조혈액학조직학
InChI: 1S/C6H5N3O4/c7-4-1-5(8(10)11)3-6(2-4)9(12)13/h1-3H,7H2
InChIKey: MPBZUKLDHPOCLS-UHFFFAOYSA-N
SMILES: Nc1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O
EPA: 3 · 3,5-Dinitroaniline (618-87-1)

화학적 성질

yellow to brownish yellow powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301+H311+H331 (71.2%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 146 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

DOT LabelPoison

Fire Hazards · 2건

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

· Combustible material: may burn but does not ignite readily.

Health Hazards · 2건

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

· TOXIC and/or CORROSIVE; inhalation, ingestion or skin contact with material may cause severe injury or death.

DOT ID and Guide1596 153

Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic

안전 및 보호

Fire FightingExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

Accidental Release Measures · 2건

· 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 · 2건

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

General First Aid:

Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).

Nonfire Spill ResponseExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

Isolation and Evacuation · 2건

Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:

Immediate precautionary measure

독성 정보

RAIS Toxicity Values · 6건

0.002

SCREEN Current

0.006

SCREEN Current

0.0004

SCREEN Current

EPA Provisional Peer-Reviewed Toxicity Values · 6건

3,5-Dinitroaniline

4 x 10^-4 mg/kg-day

7 x 10^-4 mg/kg-day

2 x 10^-3 mg/m^3

6 x 10^-3 mg/m^3

PDF Document

Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06 · 6건

2.50e+01

3.30e+02

2.10e+00

8.80e+00

7.70e+00

5.00e+00

Hazard Quotient Level 3 or Cancer Risk Level 1E-04 · 6건

7.60e+01

9.80e+02

6.30e+00

2.60e+01

2.30e+01

5.00e+00

안전 데이터

wgk: 2
rtecs: BX9200100
ridadr: UN 1596
HS 번호: 29214200
risk_code: 23/24/25-33
hazard_code: T
safety_code: 28-37-45
포장분류: II
위험 등급: 6.1
기존화학 물질: KE-14-0056
F 고인화성물질: 8
Hazard Classifications: Acute Tox. 1 DermalAcute Tox. 1 InhalationAcute Tox. 2 OralAquatic Chronic 2STOT RE 2
스토리지 클래스: 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials