CAS 55011-44-4 3,7-Dibenzothiophenediamine, 2,8-dimethyl-, 5,5-dioxide (HCID 4616894)

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Basic information

CAS: 55011-44-4
Standard SMILES: Cc1cc2c(cc1N)S(=O)(=O)c1cc(N)c(C)cc1-2
InChIKey: OJSPYCPPVCMEBS-UHFFFAOYSA-N
Molecular formula: C14H14N2O2S
Average molar mass: 274.34 g/mol
Monoisotopic mass: 274.07759887

Names & identifiers

Preferred name: 3,7-Dibenzothiophenediamine, 2,8-dimethyl-, 5,5-dioxide
IUPAC: 2,8-dimethyl-5,5-dioxodibenzothiophene-3,7-diamine
English name: O-Tolidine sulfone
Molecular formula: C14H14N2O2S
Molecular weight: 274.34

Names & synonyms

3,7-Diamino-2,8-dimethyldibenzothiophene Sulfone (contains 2,6-Dimethyl isomer)3,7-Dibenzothiophenediamine, 2,8-dimethyl-, 5,5-dioxideRefChem:487676806-973-5932-563-155011-44-4o-Tolidine sulfone3,7-Diamino-2,8-dimethyldibenzo[b,d]thiophene 5,5-dioxide3,7-Diamino-2,8-dimethyldibenzothiophene Sulfone2,6-Dimethyl isomer)MFCD00039157SCHEMBL486842

Show more names

TSNTranslinAnti-TRSLNAnti-BCLF-1Anti-REHF-1O-TOLUIDINE SULFONEo-Tolidine sulfone ,99%Component 3 of promoter of RISCAnti-TSN antibody produced in rabbit

AKOS0158894003,7-Diamino-2,8-dimethyldiphenylenesulfone3,7-Diamino-2,8-dimethyldibenzo[b,d]thiophene5,5-dioxide3,7-Diamino-2,8-dimethyldibenzothiophene Sulfone (containsO-TOLIDINESULFONE2,8-dimethyl-5,5-dioxodibenzothiophene-3,7-diamine5,11-diamino-4,2,8-dimethyl-5,5-dioxo-dibenzothiophene-3,7-diamine

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 94.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 19
Formal charge: 0
Complexity: 423

Physicochemical properties

Melting point: 350 °C · >350 °C(lit.)
storage temp.: -20 °C · -20°C
form: powder to crystal
color: White to Yellow to Green
biological source: rabbit
InChI: InChI=1S/C14H14N2O2S/c1-7-3-9-10-4-8(2)12(16)6-14(10)19(17,18)13(9)5-11(7)15/h3-6H,15-16H2,1-2H3
InChIKey: OJSPYCPPVCMEBS-UHFFFAOYSA-N
SMILES: C12=CC(N)=C(C)C=C1C1=CC(C)=C(N)C=C1S2(=O)=O
UNSPSC Code: 12352203 · 12352203
NACRES: 41 · NA.41
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H302-H315
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Hazard Codes: T,N

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and Categories · 2 items

Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)

Safety data

wgk: WGK 1
ridadr: UN 3077 9/PG 3
hs_code: 2934.99.9001
risk_code: 45-22-51/53
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: T,N
safety_code: 53-45-61
Storage Class: 10 - Combustible liquids
Hazard statements: H319-H302-H315
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Suppliers49 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

潍坊筱源化工经贸有限公司15621199386 · [email protected]

Related reactions

1 records

New reaction record

HRID 1060515As reactantuspto-grants-2003_02

Compound notes

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