Cas no 36712-21-7 (Benzoic-carboxy-13Cacid, methyl ester (6CI,9CI))
36712-21-7 structure
Product Name:Benzoic-carboxy-13Cacid, methyl ester (6CI,9CI)
CAS No:36712-21-7
MF:C8H8O2
MW:137.140577316284
CID:296426
PubChem ID:12214121
Update Time:2025-04-19
Benzoic-carboxy-13Cacid, methyl ester (6CI,9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzoic-carboxy-13Cacid, methyl ester (6CI,9CI)
- methyl benzoate
- Methyl (alpha-~13~C)benzoate
- DTXSID50480757
- SCHEMBL1332323
- METHYL BENZOATE-CARBONYL-13C
- CID 12214121
- Methyl benzoate-alpha-13C, 99 atom % 13C
- 36712-21-7
-
- Inchi： 1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3/i8+1
- InChI Key： QPJVMBTYPHYUOC-VJJZLTLGSA-N
- SMILES： O(C)[13C](C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 137.055784329g/mol
- Monoisotopic Mass: 137.055784329g/mol
- Isotope Atom Count: 1
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 114
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 1.102?g/mL?at 25?°C
- Melting Point: ?12?°C(lit.)
- Boiling Point: 198-199?°C(lit.)
- Flash Point: 181?°F
- Refractive Index: n20/D 1.517(lit.)
Benzoic-carboxy-13Cacid, methyl ester (6CI,9CI) Security Information
- WGK Germany：3
- Hazard Category Code： 20/21/22-36/37/38-42/43
- Safety Instruction： 26-27-36/37/39-45
-
Hazardous Material Identification：
- Risk Phrases：20/21/22-36/37/38-42/43
Benzoic-carboxy-13Cacid, methyl ester (6CI,9CI) Related Literature
-
Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
-
Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
36712-21-7 (Benzoic-carboxy-13Cacid, methyl ester (6CI,9CI)) Related Products
- 120-51-4(Benzyl benzoate)
- 1679-64-7(Mono-Methyl terephthalate)
- 4122-56-9(Methyl 2-formylbenzoate)
- 89-71-4(Methyl o-toluate)
- 99-75-2(Methyl p-Toluate)
- 1459-93-4(Dimethyl isophthalate)
- 2282-84-0(Methyl 2,4,6-trimethylbenzoate)
- 94-08-6(Ethyl p-toluate)
- 99-36-5(Methyl 3-methylbenzoate)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
Recommended suppliers
Shanghai Joy Biotech Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Changzhou Guanjia Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Shandong Jing Kun Chemical Co.,Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
上海帛亦醫(yī)藥科技有限公司
Gold Member
Audited Supplier
CN Supplier
Reagent
Shenzhen Yaoyuan R&D Center Co.,Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
