기본 정보
- 표준 SMILES
Cc1c(N)cc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
IEEJAAUSLQCGJH-UHFFFAOYSA-N- 분자식
- C7H7N3O4
- 평균 분자량
- 197.15 g/mol
- 단동위원소 질량
- 197.04365571
이름 및 식별자
- 우선 이름
- 2-Amino-4,6-Dinitrotoluene
- IUPAC
- 2-methyl-3,5-dinitroaniline
- 영어명
- 2-Amino-4,6-dinitrotoluene
- 분자식
- C7H7N3O4
- 분자량
- 197.15
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
35572-78-2- PubChem CID
- 37182
- DTXSID
DTXSID6044068- ChEBI
CHEBI:19452- UNII
- 189OOM840S
- EC Number
- 690-132-0
- Nikkaji
- J48.076B
물성
구조 계산 물성
- XLogP
- 1.1
- 극성 표면적
- 118 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 246
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 135 °C · 135 °C
- 끓는 점
- 334.23 °C · 334.23°C (rough estimate)
- 밀도
- 1.5115 · 1.5115 (rough estimate)
- 굴절률
- 1.586 · 1.5860 (estimate)
- 인화점
- 2 ℃ · 2℃
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 용해도
- 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 0.11 · 0.11±0.10(Predicted)
- 주요 응용
- 환경
- InChI
- 1S/C7H7N3O4/c1-4-6(8)2-5(9(11)12)3-7(4)10(13)14/h2-3H,8H2,1H3
- InChIKey
- IEEJAAUSLQCGJH-UHFFFAOYSA-N
- EPA
- 2 · 2-Amino-4,6-dinitrotoluene (35572-78-2)
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 7.1% (3 of 42) of reports.
Danger
H301 (92.9%): Toxic if swallowed [Danger Acute toxicity, oral];H311 (92.9%): Toxic in contact with skin [Danger Acute toxicity, dermal];H331 (92.9%): Toxic if inhaled [Danger Acute toxicity, inhalation];H373 (92.9%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure];H411 (92.9%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
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 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 3 of 42 reports by companies.;There are 2 notifications provided by 39 of 42 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.
유해성 정보
안전 및 보호
Protective Action Criteria (PAC)
4.2 [mg/m3]
46 [mg/m3]
280 [mg/m3]
독성 정보
RAIS Toxicity Values
0.0001
SCREEN Current
0.0003
PPRTV Current
EPA Provisional Peer-Reviewed Toxicity Values
2-Amino-4,6-Dinitrotoluene
1 x 10^-4 mg/kg-day
3 x 10^-4 mg/kg-day
PDF Document
Inadequate information to assess carcinogenic potential
2020
Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06
7.70e+00
1.10e+02
1.90e+00
5.00e+00
1.50e-03
1.00e-04
Hazard Quotient Level 3 or Cancer Risk Level 1E-04
2.30e+01
3.40e+02
5.80e+00
5.00e+00
1.00e-04
Volatile
안전 데이터
- wgk
- 3
- ridadr
- UN 1648 3/PG 2
- risk_code
- 11-23/24/25-36/37/38-36-20/21/22-51/53-33
- hazard_code
- Xi,T,F,Xn,N
- safety_code
- 16-27-45-36/37-26-61-28
- 위험 등급
- IRRITANT
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 2
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
용도 및 제조
상·하류 제품 정보
하류 제품
공급사28 곳
추가 설명
정의ChEBI: An amino-nitrotoluene that is 4,6-dinitrotoluene substituted at position 2 by an amino group.
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