Basic information
- CAS
142-79-0- Standard SMILES
O=C(Cl)CCCCCC(=O)Cl- InChIKey
LVIMBOHJGMDKEJ-UHFFFAOYSA-N- Molecular formula
- C7H10Cl2O2
- Average molar mass
- 197.06 g/mol
- Monoisotopic mass
- 196.0057849
Names & identifiers
- Preferred name
- Heptanedioyl dichloride
- IUPAC
- heptanedioyl dichloride
- English name
- PIMELOYL CHLORIDE
- Molecular formula
- C7H10Cl2O2
- Molecular weight
- 197.06
Names & synonyms
Pimeloyl chlorideHeptanedioyl dichloride142-79-0PimeloylchlorideNTY2DS4AQPPIMELIC DICHLORIDEEINECS 205-561-7HEPTANEDIOATYL CHLORIDEDTXSID7059721RefChem:145665DTXCID3034614205-561-7
Show more names
Pimelyl chloridepimelyl dichloridePimeloyl dichloridePimeloyl chloride 98%Heptanedioyl chlorideheptanedioyldichloridePimelic acid dichloride
LVIMBOHJGMDKEJ-UHFFFAOYSA-NMFCD00000762Pimelinsaurechlorid1,7-Pimeloyl chlorideUNII-NTY2DS4AQPPimeloyl chloride, 98%orb3176873SCHEMBL2154590
Database identifiers
- CAS
142-79-0- PubChem CID
- 67341
- DTXSID
DTXSID7059721- UNII
- NTY2DS4AQP
- EC Number
- 205-561-7
- Nikkaji
- J193.636K
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 129
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physicochemical properties
- Melting point
- 103 · 103-105℃
- Boiling point
- 113 °C/5 · 113 °C/5 mmHg (lit.)
- Density
- 1.205 g/mL · 1.205 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.469(lit.)
- Flash point
- 113 °C · 113 °C
- storage temp.
- Sealed in dry,Room Temperature
- InChI
- 1S/C7H10Cl2O2/c8-6(10)4-2-1-3-5-7(9)11/h1-5H2
- InChIKey
- LVIMBOHJGMDKEJ-UHFFFAOYSA-N
- SMILES
- ClC(=O)CCCCCC(Cl)=O
- FDA UNII
- 2 DS4AQP · NTY2DS4AQP
- EPA Substance Registry System
- Heptanedioyl dichloride (142-79-0)
- UNSPSC Code
- 12352100 · 12352100
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
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, 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 Corr. 1B (100%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- 1760
- hs_code
- 29171900
- risk_code
- 34-36/37
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- C
- safety_code
- 26-27-28-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationHeptanedioyl dichloride: INACTIVE
Applications
UsesPimeloyl chloride has been used in preparation of:bis-acylureas, by the coupling reaction with ureastriacetyl-15-pimelate-nivalenol, required for production of antibody against nivalenol tetraacetatemacrocyclic tetralactones, via condensation with stannoxane
Upstream & downstream products
Downstream products
Suppliers60 total
湖北蝶化新材料科技有限公司86-18372897-544 18995560451 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Related reactions
2 records
Compound notes
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