2-Methyl-5-nitrobenzenesulfonyl chloride

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Names

[ CAS No. ]:
121-02-8

[ Name ]:
2-Methyl-5-nitrobenzenesulfonyl chloride

[Synonym ]:
EINECS 204-444-8
2-Methyl-5-Nitrobenzene-1-Sulfonyl Chloride
5-Nitro-o-toluenesulfonyl Chloride
4-nitrotoluene-2-sulfochloride
Benzenesulfonyl chloride,2-methyl-5-nitro
2-Methyl-5-nitrobenzenesulfonylchloride
5-nitro-2-methyl-phenylsulfonyl chloride
MFCD00051695
4-Nitrotoluene-2-sulphonyl chloride
2-Methyl-5-nitrobenzenesulfonyl Chloride
2-methyl-5-nitro-benzene-sulfonyl chloride
4-Nitrotoluen-2-sulfochlorid
2-methyl-5-nitro-benzenesulphonyl chloride
o-Toluenesulfonyl chloride,5-nitro
sulfonyl chloride
5-nitro-2-methylbenzenesulfonylchloride

Chemical & Physical Properties

[ Density]:
1.528 g/cm3

[ Boiling Point ]:
135-137°C/0.7mm

[ Melting Point ]:
43 °C

[ Molecular Formula ]:
C7H6ClNO4S

[ Molecular Weight ]:
235.64500

[ Flash Point ]:
135-137°C/0.7mm

[ Exact Mass ]:
234.97100

[ PSA ]:
88.34000

[ LogP ]:
3.43470

[ Vapour Pressure ]:
2.57E-05mmHg at 25°C

[ Index of Refraction ]:
1.576

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XT8000000
CHEMICAL NAME :
o-Toluenesulfonyl chloride, 5-nitro-
CAS REGISTRY NUMBER :
121-02-8
BEILSTEIN REFERENCE NO. :
2697079
LAST UPDATED :
199612
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C7-H6-Cl-N-O4-S
MOLECULAR WEIGHT :
235.65
WISWESSER LINE NOTATION :
WSGR B1 ENW

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: -,1072,1986
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: -,1072,1986 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
7470 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: -,1072,1986

Safety Information

[ Symbol ]:

GHS05

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H314

[ Precautionary Statements ]:
P280-P305 + P351 + P338-P310

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges

[ Hazard Codes ]:
C:Corrosive;

[ Risk Phrases ]:
R14;R29;R34

[ Safety Phrases ]:
S22-S26-S30-S45-S8-S36/37/39

[ RIDADR ]:
3261

[ RTECS ]:
XT8000000

[ Packaging Group ]:
II

[ Hazard Class ]:
8

[ HS Code ]:
2904909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 4-Nitrotoluene
  • Carbon disulphide
  • Aluminium chloride
  • 2-methyl-5-nitro-benzenesulfonyl fluoride

DownStream

  • O,S-Diethyl dithiocarbonate
  • Dixanthogen
  • 6-amino-1,1-dioxo-1,2-benzothiazol-3-one
  • 2-Methyl-5-nitrobenzenesulfonamide
  • 4-nitrotoluene-2-sulfonic acid
  • 6-Nitrobenzo[d]isothiazol-3(2H)-one 1,1-dioxide
  • 2-methyl-5-amino-2'-hydroxy-3'-sulfo-5'-chlorobenzenesulfonanilide
  • phenyl 2-methyl-5-nitrobenzenesulphonate
  • 4-nitro-N-phenyltoluene-2-sulphonamide

Customs

[ HS Code ]: 2904909090

[ Summary ]:
HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

Related Compounds

  • 3-Chloro-4-methyl-5-nitrobenzenesulfonyl chloride
  • 2-Methyl-4-nitrobenzene-1-sulfonyl chloride
  • 4-Chloro-2-(chloromethyl)-1-methyl-benzene
  • 2-Methyl-5-nitrobenzoyl Chloride
  • 2-Methyl-5-vinylpyridinium chloride
  • 2-methyl-5-methylsulfonylbenzenesulfonyl chloride
  • 2-[[1-(2-Bromophenyl)sulfonylpiperidin-3-yl]methoxy]-5-methylpyrimidine
  • 4-({1-[(3-Methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl}methoxy)-6-phenylpyrimidine
  • 6-[(But-3-yn-2-yl)amino]-2-chloropyrimidine-4-carboxylic acid
  • 6-Phenyl-2-{thieno[3,2-d]pyrimidin-4-yl}-2-azaspiro[3.3]heptane
  • 2-[3-(6,7-Dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-1,3-benzothiazole
  • 5-Chloro-N-[(4-thiophen-3-yloxan-4-yl)methyl]pyrimidin-2-amine
  • 1-((Benzyloxy)carbonyl)-3-hydroxypiperidine-3-carboxylic acid
  • 2-{[1-(5-Chloro-2-methoxybenzenesulfonyl)piperidin-3-yl]methoxy}-5-methylpyrimidine
  • [3-(2-Cyclopropylbenzimidazol-1-yl)azetidin-1-yl]-[6-(trifluoromethyl)pyridin-3-yl]methanone
  • 5-{4-[(5-Ethylpyrimidin-2-yl)oxy]piperidine-1-carbonyl}-2,1,3-benzothiadiazole
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