2,5-dimethylbenzothiazole

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Names

[ CAS No. ]:
95-26-1

[ Name ]:
2,5-dimethylbenzothiazole

[Synonym ]:
EINECS 202-404-4
2,5-dimethyl-1,3-benzothiazole
MFCD00005796

Chemical & Physical Properties

[ Density]:
1.176 g/cm3

[ Boiling Point ]:
146 °C / 10mmHg

[ Melting Point ]:
36-40 °C(lit.)

[ Molecular Formula ]:
C9H9NS

[ Molecular Weight ]:
163.23900

[ Flash Point ]:
>230 °F

[ Exact Mass ]:
163.04600

[ PSA ]:
41.13000

[ LogP ]:
2.91310

[ Index of Refraction ]:
1.643

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DL3675000
CHEMICAL NAME :
Benzothiazole, 2,5-dimethyl-
CAS REGISTRY NUMBER :
95-26-1
BEILSTEIN REFERENCE NO. :
0116455
LAST UPDATED :
199701
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C9-H9-N-S
MOLECULAR WEIGHT :
163.25
WISWESSER LINE NOTATION :
T56 BN DSJ C1 H1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,1096,1986
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,1096,1986 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
957 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,1096,1986

Safety Information

[ Hazard Codes ]:
Xn:Harmful;

[ Risk Phrases ]:
R22;R36/37/38

[ Safety Phrases ]:
S26-S36

[ WGK Germany ]:
3

[ RTECS ]:
DL3675000

[ HS Code ]:
2934999090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2-Iodo-5-methylaniline
  • Thioacetamide
  • 5-Bromo-2-methylbenzothiazole
  • Tetramethyltin
  • 1,4-Dibromo-2-nitrobenzene
  • 1,2-bis(4-bromo-2-nitrophenyl)disulfane
  • Disulfide,bis(4-methyl-2-nitrophenyl)
  • 3'-Methylacetanilide
  • 2-amino-4-methylbenzenethiol hydrochloride

DownStream

  • 2-METHYLBENZO[D]THIAZOLE-5-CARBALDEHYDE
  • 2-Amino-4-methylbenzenethiol
  • 3-ethyl-2-[2-[(3-ethyl-5-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]butylidene]-5-methyl-1,3-benzothiazole,iodide
  • 5-(bromomethyl)-2-methyl-1,3-benzothiazole
  • Benzothiazole, 2,5-dimethyl-4-nitro- (9CI)
  • 2,5-DIMETHYL-6-NITROBENZO[D]THIAZOLE
  • 4-Benzothiazolamine,2,5-dimethyl-(9CI)
  • 2,5-Dimethylbenzo[d]thiazol-6-amine
  • 3-ethyl-2,5-dimethyl-1,3-benzothiazol-3-ium

Customs

[ HS Code ]: 2934999090

[ Summary ]:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • 2,5-DIMETHYLBENZOTHIAZOLE
  • 4-nitro-2,5-dimethylbenzothiazole
  • 4-amino-2,5-dimethylbenzothiazole
  • 2,5-Dimethylbenzothiazole,ethiodide
  • 6-Methoxy-2,5-dimethylbenzothiazole
  • 2-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]isoindole-1,3-dione