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기본 정보
- CAS
690632-18-9- 표준 SMILES
Cn1cnnc1-c1ccc(N)cc1- InChIKey
FUZWWFVYRMIXMT-UHFFFAOYSA-N- 분자식
- C9H10N4
- 평균 분자량
- 174.2 g/mol
- 단동위원소 질량
- 174.09054634
이름 및 식별자
- 우선 이름
- 4-(4-Methyl-4H-1,2,4-Triazol-3-Yl)Aniline
- IUPAC
- 4-(4-methyl-1,2,4-triazol-3-yl)aniline
- 영어명
- 4-(4-METHYL-4H-1,2,4-TRIAZOL-3-YL)ANILINE
- 분자식
- C9H10N4
- 분자량
- 174.2
이름 및 동의어
4-(4-methyl-4H-1,2,4-triazol-3-yl)aniline690632-18-9DTXSID90383410RefChem:514379DTXCID60334434109-000-6687-632-64-(4-methyl-1,2,4-triazol-3-yl)anilineBenzenamine,4-(4-methyl-4H-1,2,4-triazol-3-yl)-MFCD062008854-(4-methyl-1,2,4-triazol-3-yl)phenylamine[4-(4-methyl-4H-1,2,4-triazol-3-yl)phenyl]amine
이름 더 보기
TIMTEC-BB SBB0054034-(4-Methyl-4H-1,2,4-triazol-3-yl)aniline95%[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]amine3-(4-Aminophenyl)-4-methyl-4H-1,2,4-triazole4-(4-Methyl-4H-1,2,4-triazol-3-yl)aniline90%4-(4-Methyl-4H-1,2,4-triazol-3-yl)aniline 90%
TimTec1_004161SCHEMBL62239Benzenamine, 4-(4-methyl-4H-1,2,4-triazol-3-yl)-HMS1545N03ALBB-025614SBB005403STK803105AKOS003375495
데이터베이스 식별자
- CAS
690632-18-9- PubChem CID
- 2794785
- DTXSID
DTXSID90383410- EC Number
- 109-000-6、687-632-6
물성
구조 계산 물성보충 중
- XLogP
- 0.4
- 극성 표면적
- 56.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 165
물리화학적 성질
- 끓는 점
- 394.3 · 394.3±44.0 °C(Predicted)
- 밀도
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 3.25 · 3.25±0.10(Predicted)
- 물리적 상태
- 고체
- 색상
- 오렌지 레드
- InChI
- 1S/C9H10N4/c1-13-6-11-12-9(13)7-2-4-8(10)5-3-7/h2-6H,10H2,1H3
- InChIKey
- FUZWWFVYRMIXMT-UHFFFAOYSA-N
- SMILES
- Cn1cnnc1-c2ccc(N)cc2
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]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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
Hazard Classes and Categories
Acute Tox. 4 (100%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (50%)；STOT SE 3 (100%)
Acute Tox. 3 (100%)
안전 데이터
- wgk
- WGK 3
- HS 번호
- 2933998090
- risk_code
- 25
- hazard_code
- T
- safety_code
- 45
- 위험 참고 사항
- Harmful
- Hazard Classifications
- Acute Tox. 3 Oral
화학 및 산업
공급사11 곳
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
杭州噻伏新材料科技有限公司0571-86113725 15372021306 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
南京诺希生物科技有限公司025-85767923 18512596075 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
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