기본 정보
- CAS
4073-98-7- 표준 SMILES
Cc1cc(Cc2cc(C)c(N)c(C)c2)cc(C)c1N- InChIKey
OMHOXRVODFQGCA-UHFFFAOYSA-N- 분자식
- C17H22N2
- 평균 분자량
- 254.37 g/mol
- 단동위원소 질량
- 254.1782987
이름 및 식별자
- 우선 이름
- 4,4'-Methylenebis(2,6-xylidine)
- IUPAC
- 4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylaniline
- 영어명
- 4,4'-Methylenebis(2,6-dimethylaniline)
- 분자식
- C17H22N2
- 분자량
- 254.37
이름 및 동의어
4073-98-74,4'-Methylenebis(2,6-dimethylaniline)4,4'-Methylenebis(2,6-xylidine)KZX9T33K7FEINECS 223-786-9DTXSID90193713Benzenamine, 4,4'-methylenebis(2,6-dimethyl-Benzenamine, 4,4'-methylenebis[2,6-dimethyl-EC 223-786-9bis(4-amino-3,5-dimethylphenyl)methane3,3',5,5'-tetramethyl-4,4'-diaminodiphenylmethane4,4'-METHYLENEBIS(2,6-DIMETHYLBENZENAMINE)
이름 더 보기
4,4'-MethylenebisAURORA KA-6230enebis(2,6-dimethyLLABOTEST-BB LT001600724,4'-METHYLENEDI-2,6-XYLIDINE4-(4-Amino-3,5-dimethylbenzyl)
RefChem:506795DTXCID30116204223-786-94-(4-Amino-3,5-dimethylbenzyl)-2,6-dimethylaniline4,4-methylenebis(2,6-dimethylaniline)4-[(4-amino-3,5-dimethylphenyl)methyl]-2,6-dimethylanilineMFCD00058680MBDA-Form-I
데이터베이스 식별자
- CAS
4073-98-7- PubChem CID
- 77690
- DTXSID
DTXSID90193713- UNII
- KZX9T33K7F
- EC Number
- 223-786-9
- Nikkaji
- J217.882F
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 52 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 239
물리화학적 성질
- 녹는점
- 121 · 121-123 °C(lit.)
- 끓는 점
- 424.9 · 424.9±40.0 °C(Predicted)
- 밀도
- 1.066 · 1.066±0.06 g/cm3(Predicted)
- 증기압
- 0 Pa · 0Pa at 20℃
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 산도 계수 (pKa)
- 5.05 · 5.05±0.25(Predicted)
- 수용성
- 27.02 mg/L · 27.02mg/L at 20℃
- InChI
- 1S/C17H22N2/c1-10-5-14(6-11(2)16(10)18)9-15-7-12(3)17(19)13(4)8-15/h5-8H,9,18-19H2,1-4H3
- InChIKey
- OMHOXRVODFQGCA-UHFFFAOYSA-N
- SMILES
- Cc1cc(Cc2cc(C)c(N)c(C)c2)cc(C)c1N
- LogP
- 2.6 at · 2.6 at 25℃
화학적 성질
Off-white powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 148 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationStatus: Active Update: 29-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25517
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 29029090
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn
- safety_code
- 26-36
- 위험 등급
- 6.1
- 기존화학 물질
- 2003-3-2350
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
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하류 제품
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