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O-Chlorotoluene - 99%, high purity , CAS No.95-49-8

  • ≥99%
Item Number
C108165
Grouped product items
SKUSizeAvailabilityPrice Qty
C108165-100ml
100ml
In stock
$35.90
C108165-500ml
500ml
Available within 4-8 weeks(?)
Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!
$60.90

Basic Description

Synonyms2-Chlorotoluene|1-Chloro-2-methylbenzene|95-49-8|o-Chlorotoluene|Benzene, 1-chloro-2-methyl-|o-Tolyl chloride|ortho-Chlorotoluene|Toluene, o-chloro-|2-Methylchlorobenzene|2-Chloro-1-methylbenzene|Halso 99|1-METHYL-2-CHLOROBENZENE|NSC 8766|UN2238|2G7D0YDV9
Specifications & Purity≥99%
Shipped InNormal
Product Description

2-Chlorotoluene can be mineralized completely by Rhodococcus, strain OCT 10 DSM 45596(T). It is used in the preparation of 3-chloro-4-methylcatechol and 4-chloro-3-methylcatechol. The oxidation of 2-chlorotoluene is very well catalyzed by the enzymes: toluene dioxygenase of P. putida F1 and chlorobenzene dioxygenase from Burkholderia, strain PS12

Names and Identifiers

IUPAC Name 1-chloro-2-methylbenzene
INCHI InChI=1S/C7H7Cl/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
InChi Key IBSQPLPBRSHTTG-UHFFFAOYSA-N
Canonical SMILES CC1=CC=CC=C1Cl
Isomeric SMILES CC1=CC=CC=C1Cl
WGK Germany 1
PubChem CID 7238
UN Number 2238
Packing Group III
Molecular Weight 126.59
Beilstein 1904175

Certificates

Certificate of Analysis(COA)

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6 results found

Lot NumberCertificate TypeDateItem
K1823195Certificate of AnalysisSep 15, 2022 C108165
I2208305Certificate of AnalysisAug 24, 2022 C108165
I2208307Certificate of AnalysisAug 24, 2022 C108165
I2208308Certificate of AnalysisAug 24, 2022 C108165
I2208309Certificate of AnalysisAug 24, 2022 C108165
J1424079Certificate of AnalysisJul 20, 2022 C108165

Chemical and Physical Properties

SolubilitySlightly soluble in water.
Refractive Index1.5258
Flash Point(°F)47℃
Flash Point(°C)47℃
Boil Point(°C)158.5°C
Melt Point(°C)35.59°C

Safety and Hazards(GHS)

Pictogram(s) GHS08,   GHS09,   GHS07,   GHS02
Signal Warning
Hazard Statements

H411:Toxic to aquatic life with long lasting effects

H303:May be harmful if swallowed

H226:Flammable liquid and vapor

H332:Harmful if inhaled

H401:Toxic to aquatic life

H361:Suspected of damaging fertility or the unborn child

Precautionary Statements

P261:Avoid breathing dust/fume/gas/mist/vapors/spray.

P273:Avoid release to the environment.

P280:Wear protective gloves/protective clothing/eye protection/face protection.

P370+P378:In case of fire: Use ... to extinguish.

P210:Keep away from heat, hot surface, sparks, open flames and other ignition sources. - No smoking.

P501:Dispose of contents/container to ...

P233:Keep container tightly closed.

P240:Ground/bond container and receiving equipment.

P403+P235:Store in a well-ventilated place. Keep cool.

P303+P361+P353:IF ON SKIN (or hair): Take off Immediately all contaminated clothing. Rinse SKIN with water [or shower].

P271:Use only outdoors or in a well-ventilated area.

P241:Use explosion-proof [electrical/ventilating/lighting/.../] equipment.

P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P391:Collect spillage.

P242:Use only non-sparking tools.

P243:Take precautionary measures against static discharge.

P317:Get emergency medical help.

WGK Germany 1
Class 3
Merck Index 2171

Related Documents

References

1. G B Quistad,K M Mulholland,G C Jamieson.  (1983-11-01)  2-Chlorotoluene metabolism by rats..  Journal of agricultural and food chemistry,  31  ((6)): (1158-1162).  [PMID:6655139]
2. Katrin Pollmann,Victor Wray,Dietmar H Pieper.  (2005-03-19)  Chloromethylmuconolactones as critical metabolites in the degradation of chloromethylcatechols: recalcitrance of 2-chlorotoluene..  Journal of bacteriology,  187  ((7)): (2332-2340).  [PMID:15774876]
3. A Lehning,U Fock,R Wittich,K N Timmis,D H Pieper.  (1997-05-01)  Metabolism of Chlorotoluenes by Burkholderia sp. Strain PS12 and Toluene Dioxygenase of Pseudomonas putida F1: Evidence for Monooxygenation by Toluene and Chlorobenzene Dioxygenases..  Applied and environmental microbiology,  63  ((5)): (1974-1979).  [PMID:16535607]
4. Jingfang Xie,Dongsheng Guo,Yue Gao,Renjun Fan,Hui Guo.  (2007-03-03)  [Estimation of bioconcentration factor of benzene derivatives]..  Ying yong sheng tai xue bao = The journal of applied ecology,  17  ((12)): (2399-2402).  [PMID:17330488]
5. A A Toropov,A P Toropova,I Raska.  (2007-07-17)  QSPR modeling of octanol/water partition coefficient for vitamins by optimal descriptors calculated with SMILES..  European journal of medicinal chemistry,  43  ((4)): (714-740).  [PMID:17629592]
6. M Mikatavage,S S Que Hee,H E Ayer.  (1984-09-01)  Permeation of chlorinated aromatic compounds through Viton and nitrile glove materials..  American Industrial Hygiene Association journal,  45  ((9)): (617-621).  [PMID:6507285]
7. M A Haro,V de Lorenzo.  (2001-02-13)  Metabolic engineering of bacteria for environmental applications: construction of Pseudomonas strains for biodegradation of 2-chlorotoluene..  Journal of biotechnology,  85  ((2)): (103-113).  [PMID:11165359]
8. Katrin Pollmann,Victor Wray,Hans-Jürgen Hecht,Dietmar H Pieper.  (2003-04-11)  Rational engineering of the regioselectivity of TecA tetrachlorobenzene dioxygenase for the transformation of chlorinated toluenes..  Microbiology (Reading, England),  149  ((Pt 4)): (903-913).  [PMID:12686633]
9. M Govindarajan,K Ganasan,S Periandy,M Karabacak,S Mohan.  (2010-09-28)  Vibrational spectroscopic analysis of 2-chlorotoluene and 2-bromotoluene: a combined experimental and theoretical study..  Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy,  77  ((5)): (1005-1013).  [PMID:20869295]
10. Daniel Dobslaw,Karl-Heinrich Engesser.  (2011-08-27)  Degradation of 2-chlorotoluene by Rhodococcus sp. OCT 10..  Applied microbiology and biotechnology,  93  ((5)): (2205-2214).  [PMID:21870046]

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