Basic information
- CAS
56269-44-4- Standard SMILES
O=P(O)(O)C1(P(=O)(O)O)CCCCCN1- InChIKey
BYOBJKVGOIXVED-UHFFFAOYSA-N- Molecular formula
- C6H15NO6P2
- Average molar mass
- 259.13 g/mol
- Monoisotopic mass
- 259.03746119
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- Azacycloheptane-2,2-diphosphonic acid
- IUPAC
- (2-phosphonoazepan-2-yl)phosphonic acid
- English name
- (hexahydro-2H-azepin-2-ylidene)bis(phosphonic) acid
- Molecular formula
- C6H15NO6P2
- Molecular weight
- 259.13
Names & synonyms
56269-44-4azacycloheptane-2,2-diphosphonic acidAPDPK4RP0644XFAzacycloheptane-2,2-diphosphonateRefChem:560435260-083-6(2-phosphonoazepan-2-yl)phosphonic acidazepane-2,2-diylbis(phosphonic acid)(Hexahydro-2H-azepin-2-ylidene)bis(phosphonic) acidUNII-K4RP0644XFEINECS 260-083-6
Show more names
Turpinal AHPCyclohexamethylenediaminediphosphateHexahydro-1H-azepine-2,2-diylbis(phosphonic acid)Phosphonic acid, P,P'-(hexahydro-2H-azepin-2-ylidene)bis-
TURPINAL-AHPSCHEMBL285385SCHEMBL7888031DTXSID20971703BYOBJKVGOIXVED-UHFFFAOYSA-NAZACYLOHEPTANE DIPHOSPHONIC ACIDNS00054751Phosphonic acid, (hexahydro-2H-azepin-2-ylidene)bis-
Database identifiers
- CAS
56269-44-4- PubChem CID
- 92084
- DTXSID
DTXSID20971703- UNII
- K4RP0644XF
- EC Number
- 260-083-6
- Nikkaji
- J296.623I
Properties
Computed structural properties
- XLogP
- -4.9
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 298
Physicochemical properties
- Melting point
- 251 · 251-253 °C
- Boiling point
- 584.2 · 584.2±60.0 °C(Predicted)
- Density
- 1.62 · 1.62±0.1 g/cm3(Predicted)
- pka
- -0.54 · -0.54±0.20(Predicted)
- FDA UNII
- 4 RP0644XF · K4RP0644XF
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H412
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P273-P501
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
This chemical does not meet GHS hazard criteria for 6.7% (1 of 15) of reports.
Warning
H315 (93.3%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 15 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 (93.3%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H412
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P273-P501
Chemistry & industry
Suppliers12 total
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
常州安奈凯医药科技有限公司+86-0519-8359-8696 · [email protected]
韶关新润合生物科技有限公司19022763608 19022763608 · [email protected]
石家庄斯迪亚诺精细化工有限公司0311-89250318 031166536426 · [email protected]
广东翁江化学试剂有限公司0751-2886750 13927877953 · [email protected]
赫德瑞意（上海）新材料有限公司021-34202258 19391107643 · [email protected]
陕西衡瀚新材料有限公司15719109892 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318584237 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
山东彬睿特新材料有限公司0533-2866658 15615638350 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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