Basic information
- Standard SMILES
ClNCl- InChIKey
JSYGRUBHOCKMGQ-UHFFFAOYSA-N- Molecular formula
- Cl2.H.N
- Average molar mass
- 85.92 g/mol
- Monoisotopic mass
- 84.94860439
Names & identifiers
- Preferred name
- Chlorimide
- IUPAC
- N-Chlorohypochlorous amide
- English name
- Dichloramine
- Molecular formula
- Cl2HN
- Molecular weight
- 85.92
Names & synonyms
ChlorimideDichloroamineDichloramineKGU33GRT44UNII-KGU33GRT44DTXSID4074936RefChem:125322DTXCID80387763400-09-7iminochlorideimino chlorideNHCl2
Show more names
Dichloroamine: (Chlorimide)Chlorimide (6CI,7CI,8CI,9CI)
N-Chlorohypochlorous amideSCHEMBL8756SCHEMBL1305533SCHEMBL9494497JSYGRUBHOCKMGQ-UHFFFAOYSA-NDB-230196Q905694
Database identifiers
- CAS
3400-09-7- PubChem CID
- 76939
- DTXSID
DTXSID4074936- UNII
- KGU33GRT44
- Nikkaji
- J1.454.907B
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 3
- Formal charge
- 0
- Complexity
- 2.8
Experimental & physicochemical properties
SpringerMaterials PropertiesSchoenflies notation
Density1.2 @25 °C
Physicochemical properties
- Boiling point
- 115 · 115-117 °C(Press: 15 Torr)
- Density
- 1.429 · 1.429±0.06 g/cm3(Predicted)
- pka
- -11.14 · -11.14±0.70(Predicted)
- Henry's Law Constant
- 2.9 · 2.9×10-1 mol/(m3Pa) at 25℃, Burkholder et al. (2019)
- FDA UNII
- 33 GRT44 · KGU33GRT44
- EPA Substance Registry System
- Chlorimide (3400-09-7)
- RIDADR
- 3093 · 3093
- HazardClass
- 8 · 8
- PackingGroup
- II
Safety & regulation
Safety & protection
Protective Action Criteria (PAC)
0.047 [ppm]
0.52 [ppm]
3.1 [ppm]
Toxicology
Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06
4.0E+03(G)
Volatile
Mutagen
1
0.1
Hazard Quotient Level 3 or Cancer Risk Level 1E-04
4.0E+03 (G)
Volatile
Mutagen
1
0.1
Safety data
- ridadr
- 3093
- hazard_class
- 8
- packing_group
- II
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers5 total
南通市苏北化工原料有限公司0513-85290972 18762756250 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
南通众合化工新材料有限公司0513-85666561 15950816326 · [email protected]
Related reactions
12 records
Linked notes
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