기본 정보
- 표준 SMILES
CNc1ccc(F)cc1- InChIKey
VLWRKVBQUANIGI-UHFFFAOYSA-N- 분자식
- C7H8FN
- 평균 분자량
- 125.14 g/mol
- 단동위원소 질량
- 125.06407748
개요
structure given in first source
이름 및 식별자
- 우선 이름
- 4-Fluoro-N-methylaniline
- IUPAC
- 4-fluoro-N-methylaniline
- 영어명
- 4-Fluoro-N-methylaniline
- 분자식
- C7H8FN
- 분자량
- 125.14
이름 및 동의어
4-Fluoro-N-methylaniline459-59-6Benzenamine, 4-fluoro-N-methyl-p-fluoro-N-methylaniline88F75YIS0FDTXSID3022033RefChem:858067DTXCID302033207-294-1MFCD00017942N-methyl-4-fluoroaniline4-fluoro-N-methylbenzenamine
이름 더 보기
4-FLUORO-N-TOLUIDINE4-FLUORO-N-METHYLANILINE 98%4-Fluoro-N-methylaniline ,98%
n-(4-fluorophenyl)-n-methylamine4-fluoro-N-methyl-anilinen-methyl-p-fluoroaniline4-fluoro-N-methyl aniline(4-fluorophenyl)-methylamine(4-fluoro)-N-methyl-anilineSCHEMBL101703SCHEMBL360550
데이터베이스 식별자
- CAS
459-59-6- PubChem CID
- 68024
- DTXSID
DTXSID3022033- UNII
- 88F75YIS0F
- EC Number
- 207-294-1
- Nikkaji
- J196.176D
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 12 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 77
실험 및 물리화학적 성질
SpringerMaterials PropertiesMolecular structure
물리화학적 성질
- 끓는 점
- 79 °C/11 · 79 °C/11 mmHg (lit.)
- 밀도
- 1.04 g/mL · 1.040 g/mL at 25 °C (lit.)
- 굴절률
- 20 · n20/D 1.5320(lit.)
- 인화점
- 168 °F · 168 °F
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 산도 계수 (pKa)
- 4.8 · 4.80±0.12(Predicted)
- InChI
- 1S/C7H8FN/c1-9-7-4-2-6(8)3-5-7/h2-5,9H,1H3
- InChIKey
- VLWRKVBQUANIGI-UHFFFAOYSA-N
- SMILES
- CNc1ccc(F)cc1
- EPA
- 4 · Benzenamine, 4-fluoro-N-methyl- (459-59-6)
화학적 성질
clear yellowish liquid
안전 및 규제
GHS 분류
GHS Classification
Danger
H301 (97.6%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 3 (97.6%)
안전 데이터
- wgk
- 2
- ridadr
- UN 2810 6.1/PG 3
- HS 번호
- 29214300
- risk_code
- 22-37/38-41-43-52/53
- hazard_code
- Xn,Xi
- safety_code
- 26-36/37/39
- 위험 등급
- 6.1
- Hazard Classifications
- Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
응용 분야
용도4-Fluoro-N-methylaniline was used as a model compound to study the in vivo and in vitro biotransformation of secondary aromatic amines.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海策嵘生物科技有限公司[email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
苏州施亚生物科技有限公司17715136450 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
苏州施亚生物科技有限公司86(512)5235 8471 17715136450 · [email protected]
ZHEJIANG JIUZHOU CHEM CO., LTD+86-0576225566889 +86-13454675544 · [email protected]；[email protected]；[email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
常州天瑞医药科技有限公司0519-85386832 13382812559 · [email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
常州言己生物科技有限公司0519-83556355 18015005120 · [email protected]
上海皓之翔生物科技有限公司（原上海拓青化工有限公司）526763801 13301653310 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
郑州阿尔法化工有限公司0371-53765687 18937137882 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
菏泽星达医药科技有限公司13583079096 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
上海策嵘生物科技有限公司（定制合成实验室）13062833949 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
西安峥鎏生物科技有限公司15594552852 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 400821072 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
관련 반응
802건
연결된 노트
불러오는 중…