기본 정보
- CAS
3077-12-1- 표준 SMILES
Cc1ccc(N(CCO)CCO)cc1- InChIKey
JUVSRZCUMWZBFK-UHFFFAOYSA-N- 분자식
- C11H17NO2
- 평균 분자량
- 195.26 g/mol
- 단동위원소 질량
- 195.12592879
이름 및 식별자
- 우선 이름
- N,N-Bis(2-hydroxyethyl)-p-toluidine
- IUPAC
- 2-[N-(2-hydroxyethyl)-4-methylanilino]ethanol
- 현지명
- 2,2'-(파라-톨릴이미노)디에탄올
- 영어명
- 2,2'-(P-TOLYLIMINO)DIETHANOL
- 분자식
- C11H17NO2
- 분자량
- 195.26
이름 및 동의어
3077-12-1N,N-Bis(2-hydroxyethyl)-p-toluidineN,N-Bis(2-hydroxyethyl)-4-toluidineEthanol, 2,2'-[(4-methylphenyl)imino]bis-R00STP10PRNSC-103354N,N-Dihydroxyethyl-p-toluidineEthanol, 2,2'-((4-methylphenyl)imino)bis-DHEPT cpdRefChem:822141221-359-12,2'-(p-Tolylimino)diethanol
이름 더 보기
2,2""""-(파라-톨릴이미노)디에탄올2,2'-(파라-톨릴이미노)디에탄올2,2'-(파라-톨릴이미노)디에탄올(2,2'-(PARA-TOLYLIMINO)DIETHANOL)다이하이드록시에틸톨루이딘DHETN,N-DIHYDROXYETHYL-P-TOLUIDINE(DHPT)2,2'-(P-TOLYLIMINO)D-(P-TOLYLIMINO)DIETHANOLN-(P-TOLYL)DIETHANOLAMINEN,N-dioxyethyl-p-toluidine
2,2'-(p-Tolylazanediyl)diethanolp-TolyldiethanolamineDiethylol-p-toluidineN,N-Diethanol-p-toluidine2,2'-[(4-methylphenyl)imino]diethanolN-(4-Methylphenyl)diethanolamine2,2'-(4-Methylphenylimino)diethanolN,N-Di(2-hydroxyethyl)-para-toluidine
데이터베이스 식별자
- CAS
3077-12-1- PubChem CID
- 76497
- DTXSID
DTXSID0044650- ChEMBL
CHEMBL3189033- UNII
- R00STP10PR
- EC Number
- 221-359-1
- Nikkaji
- J150.382K
물성
구조 계산 물성
- XLogP
- 1
- 극성 표면적
- 43.7 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 138
실험 및 물리화학적 성질
Vapor Pressure0.00000073 [mmHg]
Physical DescriptionWhite powder with a slight odor; [3M MSDS]
Collision Cross Section
141.8 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID0044650]；151.0 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID0044650]；143.4 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID0044650]
물리화학적 성질
- 녹는점
- 49 · 49-53 °C (lit.)
- 끓는 점
- 338 · 338-340 °C (lit.)
- 밀도
- 1.0654 · 1.0654 (rough estimate)
- 증기압
- 0 Pa · 0Pa at 25℃
- 굴절률
- 1.533 · 1.5330 (estimate)
- 인화점
- 230 °F · >230 °F
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- 메탄올에 용해됨
- 물리적 상태
- powder to lump to clear liquid
- 산도 계수 (pKa)
- 14.33 · 14.33±0.10(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 5.6% (21 of 372) of reports.
Danger
H302 (88.2%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (18.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H317 (46%): May cause an allergic skin reaction [Warning Sensitization, Skin]；H318 (74.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (18%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (11.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H412 (46.5%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 372 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 21 of 372 reports by companies.；There are 10 notifications provided by 351 of 372 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
Regulatory Information
Chemical: Ethanol, 2,2'-[(4-methylphenyl)imino]bis-
Status: Active Update: 04-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27362
Ethanol, 2,2'-[(4-methylphenyl)imino]bis-: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryCauses flaccid paralysis without anesthesia (usually neuromuscular blockage), ataxia, and respiratory depression in oral lethal-dose studies of rodents; [RTECS] A moderate eye irritant; May induce methemoglobinemia; [3M MSDS] See Toluidine.
화학 및 산업
용도 및 제조
UsesLysosome stabilizing agent. [ChemIDplus] Used as an accelerator and intermediate; [3M MSDS]
General Manufacturing InformationEthanol, 2,2'-[(4-methylphenyl)imino]bis-: ACTIVE
응용 분야
용도Emulsifier, dyestuff intermediate.
공급사100 곳
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Changzhou Carman Chemical Co., Ltd.15061933924
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
Syntechem Co.,Ltd[email protected]
天津中信凯泰化工有限公司022-66880623 · [email protected]
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