Basic information
- CAS
17866-84-1- Standard SMILES
Fc1ccc(N=Cc2ccc(C=Nc3ccc(F)cc3)cc2)cc1- InChIKey
VBCDABROGMPOGB-RNIAWFEPSA-N- Molecular formula
- C20H14F2N2
- Average molar mass
- 320.3 g/mol
- Monoisotopic mass
- 320.11250478
Names & identifiers
- Preferred name
- N,N'-Terephthalylidene-bis(4-fluoroaniline)
- IUPAC
- N-(4-fluorophenyl)-1-[4-[(4-fluorophenyl)iminomethyl]phenyl]methanimine
- English name
- Terephthalbis(4-fluoroaniline)
- Molecular formula
- C20H14F2N2
- Molecular weight
- 320.34
Names & synonyms
N,N'-Terephthalylidene-bis(4-fluoroaniline)RefChem:821973634-030-617866-84-1Terephthalbis(4-fluoroaniline)1,1'-(1,4-Phenylene)bis(N-(4-fluorophenyl)methanimine)Terepthalbis(4-fluoroaniline)N-(4-fluorophenyl)-1-[4-[(4-fluorophenyl)iminomethyl]phenyl]methanimineBis(4-fluoroanilino)terephthalaldehydeSCHEMBL12416601C20H14F2N2MFCD00017952
Show more names
terephthalbisfluoroanilineTerephthalbis(p-fluoroaniline)Terephthalbis(4-fluoroaniline) >BIS(4-FLUOROANILINO)TEREPHTHALALDEHYDEN,N'-TEREPHTHALYLIDENE-BIS(4-FLUOROANIL&1,4-Bis(p-fluorophenyliminomethyl)benzeneN,N'-(1,4-PHENYLENEDIMETHYLIDYNE)BIS(4-FLUOROANILINE)
AKOS0004839631583280-96-9Benzenamine, N,N'-(1,4-phenylenedimethylidyne)bis[4-fluoro- (9CI)N,N'-Terephthalylidene-bis(4-fluoroaniline), 97%Benzenamine, N,N'-(1,4-phenylenedimethylidyne)bis[4-fluoro-, [N(E),N'(E)]-NSC270732FT-0637616DTXSID30313498
Database identifiers
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 24.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 373
Physicochemical properties
- Melting point
- 151 · 151-155 °C(lit.)
- Boiling point
- 464.8 · 464.8±40.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- pka
- 2.32 · 2.32±0.50(Predicted)
- form
- solid
- InChI
- 1S/C20H14F2N2/c21-17-5-9-19(10-6-17)23-13-15-1-2-16(4-3-15)14-24-20-11-7-18(22)8-12-20/h1-14H/b23-13+,24-14+
- InChIKey
- VBCDABROGMPOGB-RNIAWFEPSA-N
- SMILES
- Fc1ccc(cc1)\N=C\c2ccc(cc2)\C=N\c3ccc(F)cc3
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335-H413
- Precautionary statements
- 261 · P261-P305+P351+P338
- target organs
- Respiratory system
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2921420090
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H319-H335-H413
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 4Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers43 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [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]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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