Basic information
- CAS
5472-71-9- Standard SMILES
c1ccc2c(c1)nnn2CN1CCOCC1- InChIKey
YZYQTUBWZGCDLR-UHFFFAOYSA-N- Molecular formula
- C11H14N4O
- Average molar mass
- 218.26 g/mol
- Monoisotopic mass
- 218.11676108
Names & identifiers
- Preferred name
- 1-(4-morpholinomethyl)-1H-benzotriazole
- IUPAC
- 4-(benzotriazol-1-ylmethyl)morpholine
- English name
- (4-Morpholinylmethyl)benzotriazole 97%&
- Molecular formula
- C11H14N4O
- Molecular weight
- 218.26
Names & synonyms
5472-71-91-(4-Morpholinomethyl)-1H-benzotriazole1H-Benzotriazole, 1-(4-morpholinylmethyl)-91S3WP4AQUNSC-29448EINECS 226-813-2NSC 294481-(4-Morpholinylmethyl)-1H-benzotriazoleDTXSID30203188BT-2181H-BENZOTRIAZOLE, 1-(MORPHOLINOMETHYL)-1-((MORPHOLIN-4-YL)METHYL)-1H-BENZOTRIAZOLE
Show more names
1-(4-morpholinylmethyl)-1h-benzotriazol(4-Morpholinylmethyl)benzotriazole 97%&4-((1h-Benzo[d][1,2,3]triazol-1-yl)methyl)morpholine(4-morpholinylmethyl)benzotriazole, mixture of bt1 and bt2 isomers(4-Morpholinylmethyl)benzotriazole, mixture of Bt1 and Bt2 isomers 97%(4-MORPHOLINYLMETHYL)BENZOTRIAZOLE, 97%, MIXTURE OF BT1 AND BT2 ISOMERS
RefChem:425944DTXCID30125679226-813-24-(benzotriazol-1-ylmethyl)morpholineNSC294481-(4-Morpholinylmethyl)-1H-1,2,3-benzotriazole(4-MORPHOLINYLMETHYL)BENZOTRIAZOLE1-(Morpholin-4-ylmethyl)-1H-1,2,3-benzotriazole
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 43.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Melting point
- 104 · 104-107 °C (lit.)
- Boiling point
- 381.8 · 381.8±27.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 4.63 · 4.63±0.10(Predicted)
- InChI
- 1S/C11H14N4O/c1-2-4-11-10(3-1)12-13-15(11)9-14-5-7-16-8-6-14/h1-4H,5-9H2
- InChIKey
- YZYQTUBWZGCDLR-UHFFFAOYSA-N
- SMILES
- C1CN(CCO1)Cn2nnc3ccccc23
- FDA UNII
- 91 S3WP4AQU · 91S3WP4AQU
- UNSPSC Code
- 12352005 · 12352005
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 13 - Non Combustible Solids
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers3 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [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]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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