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Home> Encyclopedia > Hot Product Listed 7   > 7-Benzothiazolesulfonicacid, 2-(4-aminophenyl)-6-methyl-
130-17-6 structure

7-Benzothiazolesulfonicacid, 2-(4-aminophenyl)-6-methyl-

Iupac Name:2-(4-aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid
CAS No.:130-17-6
EINECS(EC#): 204-979-7
Molecular Weight:320.381
Molecular Formula:C14H12N2O3S2 (isomer)
Names and Identifiers
Synonyms

2-(4-aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid 2-(4-aminophenyl)-6-methyl-7-benzothiazolesulfonic acid 2-(4-Aminophenyl)-6-methyl-7-benzothiazolesulfonicacid 2-(4-aminophenyl)-6-methylbenzo[d]thiazole-7-sulfonic acid 2-(4-aminophenyl)-6-methylbenzothiazole sulfonic acid 2-(4'-Aminophenyl)-6-methylbenzothiazole-7-sulfonic acid 2-(4-amino-phenyl)-6-methyl-benzothiazole-7-sulfonic acid 2-(4-aminophenyl)-6-methylbenzothiazole-7-sulfonic acid 2-(4-aminophenyl)-6-methylbenzthiazole-7-sulfonic acid 2-(p-aminophenyl)-6-methyl-7-benzothiazolesulfonic acid 2-(p-aminophenyl)-6-methylbenzothiazolyl-7-sulfonic acid 7-benzothiazolesulfonic acid, 2-(4-aminophenyl)-6-methyl- (9ci) 7-Benzothiazolesulfonicacid, 2-(p-aminophenyl)-6-methyl- (8CI) A2471/0104918 A806031 AC1L5AYT AC1Q2EW4 AJ-29458 AK-57318 AKOS000668604 AN-23043 AX8017970 BAS 00112030 c-35121 cas-130-17-6 CBDIVE_003585 CBDIVE_008105 cc-05698 CDS1_000235 d.t.s. dehydro thio p-toluidine, sulfonic acid dehydrothio-p-toluidine-3-monosulfonic acid dehydrothio-p-toluidine-3-sulfonic acid Dehydrothio-p-toluidinesulfonic acid DIVK1C_001275 dsstox_cid_4501 dsstox_gsid_24501 dsstox_rid_77431 FT-0608579 HMS548K15 I14-10083 JSP001831 KB-66815 KGZUHYIHYBDNLC-UHFFFAOYSA-N MAYBRIDGE1_002523 MCULE-2155765180 MOLPORT-000-142-064 NCGC00091147-01 NCGC00260017-01 nsc 203387 nsc 44566 p-(6-methyl-7-sulfobenzothiazole)aniline p-(6-methylbenzothiazole)aniline monosulfonic acid SCHEMBL633557 ST4061231 STK677099 tox21_202468 W-108351 wln: t56 bn dsj cr dz& fswq g1 Y7382

Inchi
InChI=1S/C14H12N2O3S2/c1-8-2-7-11-12(13(8)21(17,18)19)20-14(16-11)9-3-5-10(15)6-4-9/h2-7H,15H2,1H3,(H,17,18,19)
InChkey
KGZUHYIHYBDNLC-UHFFFAOYSA-N
Canonical Smiles
CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N)S(=O)(=O)O
Properties
Appearance
yellow powder
Density
1.505
Melting Point
>300℃
Boiling Point
°Cat760mmHg
Refractive Index
1.714
Flash Point
°C
Solubility
<0.1 g/100 mL at 22 ºC
Stability
No data.
HS Code
2934999090
Storage temp
Keep in a cool, dry, dark location in a tightly sealed container or cylinder. Keep away from incompatible materials, ignition sources and untrained individuals. Secure and label area. Protect containers/cylinders from physical damage.
Safety and Handling
Hazard Codes
Xn
Risk Statements
R20/21/22;R36/37/38
Safety Statements
S26;S36/37/39
Safety

Poison by intravenous route. See also SULFONATES. When heated to decomposition it emits very toxic fumes of SOx and NOx.
 

Hazard Codes: HarmfulXnCorrosiveC
Risk Statements:
20:  Harmful by inhalation
21:  Harmful in contact with skin
22:  Harmful if swallowed 
36:  Irritating to the eyes
37:  Irritating to the respiratory system
38:  Irritating to the skin
Safety Statements:26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:  Wear suitable protective clothing 
37:  Wear suitable gloves
39:  Wear eye/face protection

Toxicity
1.    

ivn-mus LD50:178 mg/kg

    CSLNX*    U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#00718 .
Specification

 2-(4-Aminophenyl)-6-methylbenzothiazole-7-sulphonic acid ,its cas register number is 130-17-6.It also can be called Dehydrothio-p-toluidinesulfonic acid ; Dehydrothiotoluidine sulfonic acid ; 2-(4-Aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid ; 7-Benzothiazolesulfonic acid, 2-(p-aminophenyl)-6-methyl- and 7-Benzothiazolesulfonic acid, 2-(4-aminophenyl)-6-methyl- .

Report

Reported in EPA TSCA Inventory.

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 3

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

H412 Harmful to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P273 Avoid release to the environment.

Response

none

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:320.381g/mol
  • Molecular Formula:C14H12N2O3S2
  • Compound Is Canonicalized:True
  • Exact Mass:320.029
  • Monoisotopic Mass:320.029
  • Complexity:471
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:130A^2
  • Heavy Atom Count:21
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBzMABgAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB9AAAHAQQCAAADAiBXgAywbJIEIqk AyRiRHDD8OBhCjgImDQwZJgIIKLgkZGEIAxgkADoyAcQgAAOCAAAgCAEAwAQAAEAQAgGAAAAAAAA AA==
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Recommended Suppliers
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  • Fax:86-571-87396431
  • Tel:86-571-86960370
  • Fax:86-571-86940780
  • Tel:0086-531-58773055
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  • Fax:86-21-33250189
  • Tel:025-83697070
  • Fax:+86-25-83453306
  • Tel:021-33926680
  • Fax:+86-21-63536992
  • Tel:82- 2 -783 - 8063
  • Fax:82 -2 - 3775 - 3073
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