Basic information
- CAS
4460-46-2- Standard SMILES
ClC1(c2ccccc2)N=N1- InChIKey
VWAYXULOLUTAHI-UHFFFAOYSA-N- Molecular formula
- C7H5ClN2
- Average molar mass
- 152.58 g/mol
- Monoisotopic mass
- 152.0141259
Names & identifiers
- Preferred name
- 3-Chloro-3-phenyl-3h-diazirine
- IUPAC
- 3-chloro-3-phenyldiazirine
- English name
- 3-chloro-3-phenyldiazirine
- Molecular formula
- C7H5ClN2
- Molecular weight
- 152.58
Names & synonyms
3-chloro-3-phenyl-3h-diazirinephe-nylchlorodiazirine3-chloro-3-phenyl-3H-diazirenedoi:10.14272/VWAYXULOLUTAHI-UHFFFAOYSA-N.13-chloro-3-phenyldiazirine3H-Diazirine, 3-chloro-3-phenyl-
Database identifiers
- CAS
4460-46-2- PubChem CID
- 10888109
- Nikkaji
- J315.103D
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 24.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Boiling point
- 250.67 °C · 250.67°C (rough estimate)
- Density
- 1.2763 · 1.2763 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- solubility
- sol hydrocarbons, diethyl ether, ethyl acetate, and acetonitrile
Chemistry & industry
Applications
Uses3-chloro-3-phenyldiazirine is a stable cyclic isomer of chlorodiazomethane; excellent source of chlorocarbene following thermolysis or photolysis[1].
Preparation methods
Preparation3-chloro-3-phenyldiazirine is prepared by treatment of benzamidine hydrochloride with NaOCl (eq 1).
Upstream & downstream products
Downstream products
Suppliers4 total
北京泰亚杰科技有限公司021-33690831-8001 13552411790;18616022633 · [email protected]
陕西爱施达尔生物科技有限公司18682931470; 18682931470 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
天津佳一生物科技有限公司13261917876 13261917876 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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