기본 정보
- CAS
121-72-2- 표준 SMILES
Cc1cccc(N(C)C)c1- InChIKey
CWOMTHDOJCARBY-UHFFFAOYSA-N- 분자식
- C9H13N
- 평균 분자량
- 135.21 g/mol
- 단동위원소 질량
- 135.10479942
이름 및 식별자
- 우선 이름
- N,N-dimethyl-m-toluidine
- IUPAC
- N,N,3-trimethylaniline
- 현지명
- 디메틸-메타-톨루이딘
- 영어명
- N,N-Dimethyl-m-toluidine
- 분자식
- C9H13N
- 분자량
- 135.21
이름 및 동의어
N,N-Dimethyl-m-toluidineN,N,3-Trimethylaniline121-72-2Benzenamine, N,N,3-trimethyl-Dimethyl-m-toluidineN,N-Dimethyl-m-methylanilineN,N-Dimethyl-3-methylanilinem,N,N-Trimethylanilinem-Methyl-N,N-dimethylanilineDimetil-m-toluidinaN,N,3-Trimethylbenzenaminem-TOLUIDINE, N,N-DIMETHYL-
이름 더 보기
디메틸-메타-톨루이딘N,N-다이메틸-메타-톨루이딘TIMTEC-BB SBB008276N,N-DIMETHYL-M-TOLUIDimethyl-m-toliudine3,N,N-TRIMETHYLANILINEN,N,5-Trimethylaniline
Benzene, 1-(dimethylamino)-3-methyl-NSC 1788Dimetil-m-toluidina [Italian]DTXSID90516183-(Dimethylamino)tolueneEINECS 204-495-6UNII-P0Q446WN3F3-methyl-N,N-dimethylaniline
데이터베이스 식별자
- CAS
121-72-2- PubChem CID
- 8488
- DTXSID
DTXSID9051618- UNII
- P0Q446WN3F
- EC Number
- 204-495-6
- Nikkaji
- J10.069B
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 3.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 98
실험 및 물리화학적 성질
Vapor Pressure0.58 [mmHg]
Physical Description
N,n-dimethyl-m-toluidine appears as a clear colorless liquid with an aromatic odor. Density 0.932 g / cm3 (Lancaster) and insoluble in water. Hence floats on water. Toxic by skin absorption and inhalation. May release toxic vapors when burned.
Colorless liquid; [Alfa Aesar MSDS]
Kovats Retention Index
1164.6；1174
1653.2；1653.6；1664
물리화학적 성질
- 녹는점
- -15 °C · -15 °C
- 끓는 점
- 215 °C · 215 °C(lit.)
- 밀도
- 0.93 g/mL · 0.93 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.55(lit.)
- 인화점
- 185 °F · 185 °F
- 저장 조건
- Sealed in dry,Room Temperature
- 물리적 상태
- 액체
- 산도 계수 (pKa)
- 5.22 · 5.22±0.10(Predicted)
- 색상
- 맑은 노란색
- BRN
- 1422766 · 1422766
- InChI
- InChI=1S/C9H13N/c1-8-5-4-6-9(7-8)10(2)3/h4-7H,1-3H3
안전 및 규제
GHS 분류
GHS Classification
Danger
H301: Toxic if swallowed [Danger Acute toxicity, oral]；H311: Toxic in contact with skin [Danger Acute toxicity, dermal]；H331: Toxic if inhaled [Danger Acute toxicity, inhalation]；H373 **: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]；H412: Harmful 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, P403+P233, P405, and P501 (click each P-code to see the statement)
Danger
유해성 정보
DOT LabelPoison
Fire Hazards
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:；Combustible material: may burn but does not ignite readily. When heated, vapors may form explosive mixtures with air: indoors, outdoors and sewers explosion hazards. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Corrosives in contact with metals may evolve flammable hydrogen gas. Containers may explode when heated. Runoff may pollute waterways. Substance may be transported in a molten form. (ERG, 2024)
Health Hazards
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. Methyl bromoacetate (UN2643) is an eye irritant/lachrymator (causes flow of tears). Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause environmental contamination. (ERG, 2024)
Hazards Summary
Intraperitoneal LD50 (mouse) = 300 mg/kg; [RTECS] An irritant; Highly toxic by ingestion, inhalation, and skin absorption; May induce methemoglobinemia; Prolonged or repeated exposure may cause organ injury; [Alfa Aesar MSDS] See m-Toluidine.
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzenamine, N,N,3-trimethyl-: ACTIVE
응용 분야
용도N,N,3-Trimethylaniline, is an building block used for the synthesis of more complex compounds, such as BTK (Bruton''s tyrosine kinase) inhibitor.
일반 설명A clear colorless liquid with an aromatic odor. Density 0.932 g / cm3 (Lancaster) and insoluble in water. Hence floats on water. Toxic by skin absorption and inhalation. Flash point 185°F. May release toxic vapors when burned.
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하류 제품
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