2-Amino-4,6-Dinitrotoluene

HCID 37182CAS 35572-78-2

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

2-Methyl-3,5-dinitroaniline35572-78-22-AMINO-4,6-DINITROTOLUENE3,5-Dinitro-o-toluidine2,4-Dinitro-6-aminotoluene2-Adnt2-Methyl-3,5-dinitrobenzenamineDTXSID6044068189OOM840SCHEBI:19452RefChem:85167DTXCID4024068
이름 더 보기
3,5-dinitro-o-toluidin4,6-Dinitrotoluene-2-amine3,5-Dinitro-6-methylaniline
Benzenamine, 2-methyl-3,5-dinitro-o-Toluidine, 3,5-dinitro-MFCD000245262-methyl-3,5-dinitrophenylamineCCRIS 5187BRN 23775152-Amino-4,6-dinitrotoluene (3,5-Dinitro-2-methylaniline)3,5-dinitro-2-methylaniline

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

실험 및 물리화학적 성질

Melting Point152 °C
Vapor Pressure0.00004 [mmHg]
Physical DescriptionSolid; [DOD] Yellow powder; [AccuStandard MSDS]
Kovats Retention Index330.74

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

안전 및 규제

GHS 분류

GHS Classification · 6건

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

Hazards SummaryCauses excitement and somnolence in oral lethal-dose studies of rats; [RTECS] Has been detected in the urine of workers exposed to TNT; [EPA - PPRTV] May cause irritation; [AccuStandard MSDS] See 2,4,6-Trinitrotoluene.
Hazard Classes and CategoriesAcute Tox. 3 (92.9%);Acute Tox. 3 (92.9%);Acute Tox. 3 (92.9%);STOT RE 2 (92.9%);Aquatic Chronic 2 (92.9%)

안전 및 보호

Protective Action Criteria (PAC) · 3건

4.2 [mg/m3]

46 [mg/m3]

280 [mg/m3]

독성 정보

Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
RAIS Toxicity Values · 4건

0.0001

SCREEN Current

0.0003

PPRTV Current

EPA Provisional Peer-Reviewed Toxicity Values · 6건

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 · 6건

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 · 6건

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

화학 및 산업

용도 및 제조

UsesProduced from the microbial degradation of the explosive trinitrotoluene (TNT); [DOD] A major human metabolite of 2,4,6-trinitrotoluene (TNT); [EPA - PPRTV]

상·하류 제품 정보

공급사28 곳

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海皓竹医药科技有限公司18912729622 · [email protected]
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]

추가 설명

정의ChEBI: An amino-nitrotoluene that is 4,6-dinitrotoluene substituted at position 2 by an amino group.

관련 반응

3건

연결된 노트

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