Basic information
- Standard SMILES
CNCc1ccc(F)cc1- InChIKey
SZJIQLSCDIEJFC-UHFFFAOYSA-N- Molecular formula
- C8H10FN
- Average molar mass
- 139.17 g/mol
- Monoisotopic mass
- 139.07972754
Names & identifiers
- Preferred name
- 1-(4-fluorophenyl)-N-methylmethanamine
- IUPAC
- 1-(4-fluorophenyl)-N-methylmethanamine
- English name
- (4-Fluoro-benzyl)-methyl-amine
- Molecular formula
- C8H10FN
- Molecular weight
- 139.17
Names & synonyms
1-(4-fluorophenyl)-n-methylmethanamineRefChem:425605626-594-7405-66-34-Fluoro-N-methylbenzylamineN-Methyl-4-fluorobenzylamine(4-fluoro-benzyl)-methyl-amine[(4-fluorophenyl)methyl](methyl)amine4-Fluoro-N-methyl benzylamineMFCD03839848(4-fluorobenzyl)-methylamine4-Fluoro-N-methylbenzyl amine
Show more names
AKOS BC-2746TIMTEC-BB SBB005902CHEMBRDG-BB 4004372(4-FLUORO-BENZYL)-ME4-Fluoro-N-Methyl Benzyla E4-Fluoro-N-methylbenzylamine>
(4-fluorobenzyl)-(methyl)-amineN-methyl-N-(4-fluorobenzyl)amine4-Fluoro-N-methylbenzylamine, 97%NCGC00374043-01EN300-07965N-(4-fluorobenzyl)-N-methylamineBenzenemethanamine, 4-fluoro-N-methyl-1-(4-fluorophenyl)-N-methyl-methanamine
Database identifiers
- CAS
405-66-3- PubChem CID
- 736860
- DTXSID
DTXSID20353121- EC Number
- 626-594-7
- Nikkaji
- J3.279.502A
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 87.3
Physicochemical properties
- Boiling point
- 180 · 180-181 °C (lit.)
- Density
- 1.056 g/mL · 1.056 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.4990(lit.)
- Flash point
- 71 °C · 71 °C
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 9.71 · 9.71±0.10(Predicted)
- form
- clear liquid
- color
- Colorless to Light yellow to Light orange
- Sensitive
- Air Sensitive
- InChI
- 1S/C8H10FN/c1-10-6-7-2-4-8(9)5-3-7/h2-5,10H,6H2,1H3
- InChIKey
- SZJIQLSCDIEJFC-UHFFFAOYSA-N
- SMILES
- CNCc1ccc(F)cc1
- CAS DataBase Reference
- 405 · 405-66-3
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 315 · H315-H317-H318-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 37 · 37/38-41-43
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 2735 · UN 2735 8/PG III
- WGK Germany
- 3 · 3
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 29214200 · 29214200
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 1 Skin · Eye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Danger
H315 (95.2%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (95.2%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 2735 8/PG III
- hs_code
- 29214200
- risk_code
- 37/38-41-43
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi
- safety_code
- 26-36/37/39
- hazard_class
- 8
- Storage Class
- 10 - Combustible liquids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H315-H317-H318-H335
- Hazard Classifications
- Eye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses4-Fluoro-n-methylbenzylamine
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
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武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
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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]
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韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Wuhan Konberd Biotech Co., Ltd+undefined-18986093962 · [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]
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安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
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Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
常州琬瑶生物科技有限公司051989185693 15312551983 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
北京伊诺凯科技有限公司15652467323 · [email protected]
上海昊锐医药生物科技有限公司021-58388037;21-58388037 13472507714 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
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上海纳谦化学科技有限公司13598610367 0373-7129549 · [email protected]
上海特伯化学科技有限公司+86-21-60341587 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
天津奥立非医药技术有限公司18202662021 18522876413 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
Related reactions
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