Cas no 26264-09-5 (Benzoic acid, chloro-)
Benzoic acid, chloro- structure
Product Name:Benzoic acid, chloro-
Benzoic acid, chloro- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, chloro-
- Chlorobenzoic acid
- NSC 15042
- NCGC00257840-01
- EN300-18043
- bmse000332
- AM86361
- 2-Chlorobenzoic acid, 98%
- Mefenamic Acid Imp. C (EP); Mesalazine Imp. L (EP); 2-Chlorobenzoic Acid; Mefenamic Acid Impurity C; Mesalazine Impurity L; Tolfenamic Acid Impurity A
- 2-Chlorobenzoic Acid Zone Refined (number of passes:20)
- 26264-09-5
- 2-chloro benzoic acid
- DTXCID304771
- CS-B1789
- NSC-32737
- NSC-15042
- Q2823208
- Benzoic acid,chloro-
- O-CHLOROBENZOIC ACID [MI]
- Kyselina o-chlorbenzoova
- NCGC00090894-01
- Kyselina o-chlorbenzoova [Czech]
- CHEBI:30793
- CHLOROBENZOIC ACID, O-
- MEFENAMIC ACID IMPURITY C [EP IMPURITY]
- MESALAZINE IMPURITY L [EP IMPURITY]
- SCHEMBL367
- Benzoic acid, 2-chloro-
- MFCD00002412
- BRN 0907340
- 2-Chlorobenzoic acid, analytical standard
- 2-CHLOROBENZOIC-D4 ACID
- NS00001438
- O-CHLOROBENZOIC ACID [HSDB]
- AI3-03714
- AKOS000119016
- TOLFENAMIC ACID IMPURITY A [EP IMPURITY]
- RWJ-333369 METABOLITE M4
- OCBA
- M02 2-chlorobenzoic acid
- FT-0611913
- WLN: QVR BG
- F9995-1661
- Tox21_200286
- EINECS 204-285-4
- D77315
- 2-Cba
- O-CHLOROBENZOIC ACID
- Z57127537
- InChI=1/C7H5ClO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10
- UNII-8P0867193V
- DTXSID4024771
- 2-Chlorobenzoic acid
- CHEMBL115243
- AB-131/40168737
- Benzoic acid, o-chloro-
- NSC32737
- PS-5349
- R300100
- 2-Chlorobenzoic acid, Vetec(TM) reagent grade, 98%
- CCRIS 5993
- NSC15042
- CAS-118-91-2
- 2-chloro-benzoic acid
- 8P0867193V
- HSDB 6017
- NCIOpen2_004799
- C02357
- A804125
- 118-91-2
- NCGC00090894-02
- Q-200261
-
- Inchi： 1S/C7H5ClO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)
- InChI Key： IKCLCGXPQILATA-UHFFFAOYSA-N
- SMILES： ClC1C=CC=CC=1C(=O)O
Computed Properties
- Exact Mass: 155.99785
- Monoisotopic Mass: 155.997807
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 136
- 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
- XLogP3: 2.7
- Topological Polar Surface Area: 37.3
Experimental Properties
- Density: 1.374
- Melting Point: 158 DEG C
- Boiling Point: 281.3°Cat760mmHg
- Flash Point: 123.9°C
- Refractive Index: 1.583
- PSA: 37.3
- LogP: log Kow= 2.05
Benzoic acid, chloro- Related Literature
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
-
Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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