Basic information
- Standard SMILES
Nc1ccccc1SSc1ccccc1N- InChIKey
YYYOQURZQWIILK-UHFFFAOYSA-N- Molecular formula
- C12H12N2S2
- Average molar mass
- 248.4 g/mol
- Monoisotopic mass
- 248.04419038
Overview
resin hardener
Names & identifiers
- Preferred name
- Bis(2-aminophenyl) disulfide
- IUPAC
- 2-[(2-aminophenyl)disulfanyl]aniline
- English name
- 2,2'-Diaminodiphenyl disulphide
- Molecular formula
- C12H12N2S2
- Molecular weight
- 248.37
Names & synonyms
1141-88-42,2'-DithiodianilineBenzenamine, 2,2'-dithiobis-2,2'-DiaminodiphenyldisulfideBis(2-aminophenyl) disulfideANILINE, 2,2'-DITHIOBIS-DTXSID2061561RefChem:80732DTXCID9033341214-529-12,2'-disulfanediyldianiline2-Aminophenyl disulfide
Show more names
Bis(2-Aminophenyl)DisulideBis(o-amiusafab-315
2-[(2-aminophenyl)disulfanyl]anilineIntramine2,2'-Diaminodiphenyl disulfide2,2-Disulfanediyldianiline2,2'-Diaminodiphenyl disulphideAniline, 2,2'-dithiodi-Bis(o-aminophenyl) disulfideUSAF AB-315
Database identifiers
- CAS
1141-88-4- PubChem CID
- 14358
- DTXSID
DTXSID2061561- ChEMBL
CHEMBL122355- UNII
- Y75Q7B8EAE
- EC Number
- 214-529-1
- Nikkaji
- J60.268J
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 191
Experimental & physicochemical properties
SpringerMaterials PropertiesCrystal structure
Physicochemical properties
- Melting point
- 91 · 91-92 °C(lit.)
- Boiling point
- 398 · 398.0±27.0 °C(Predicted)
- Density
- 1.2716 · 1.2716 (rough estimate)
- refractive index
- 1.57 · 1.5700 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- Soluble in hot methanol- almost transparent.
- pka
- 2.81 · 2.81±0.10(Predicted)
- form
- powder to crystal
- color
- Light yellow to Amber to Dark green
- BRN
- 914032 · 914032
- InChI
- InChI=1S/C12H12N2S2/c13-9-5-1-3-7-11(9)15-16-12-8-4-2-6-10(12)14/h1-8H,13-14H2
- InChIKey
- YYYOQURZQWIILK-UHFFFAOYSA-N
- SMILES
- S(C1=CC=CC=C1N)SC1=CC=CC=C1N
- CAS DataBase Reference
- 1141 · 1141-88-4(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 75 Q7B8EAE · Y75Q7B8EAE
- NIST Chemistry Reference
- 2 · Benzenamine, 2,2'-dithiobis-(1141-88-4)
- EPA Substance Registry System
- 2 · Benzenamine, 2,2'-dithiobis- (1141-88-4)
- UNSPSC Code
- 26111700 · 26111700
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 319 · H319-H410
- Precautionary statements
- 273 · P273-P305+P351+P338
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi,N,T
- Risk Statements
- 41 · 41-50/53-25
- Safety Statements
- 26 · 26-39-61-60-45
- RIDADR
- 2811 · UN2811 - class 6.1 - PG 3 - EHS - Toxic solids, organic, n.o.s., HI: all
- WGK Germany
- 2 · 2
- RTECS
- 9540000 · BX9540000
- F
- 10 · 10-23
- TSCA
- TSCA listed
- HS Code
- 29309090 · 29309090
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 1 Aquatic · Aquatic Acute 1Aquatic Chronic 1Eye Irrit. 2
- Toxicity
- 50 · mouse,LD50,intraperitoneal,50mg/kg (50mg/kg),National Technical Information Service. Vol. AD277-689,
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (56.8%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P272, P273, P280, P301+P316, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 95 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzenamine, 2,2'-dithiobis-
Status: Active Update: 18-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24260
Hazard Classes and CategoriesAcute Tox. 3 (56.8%)
Safety data
- F
- 10-23
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- BX9540000
- ridadr
- UN2811 - class 6.1 - PG 3 - EHS - Toxic solids, organic, n.o.s., HI: all
- hs_code
- 29309090
- Toxicity
- mouse,LD50,intraperitoneal,50mg/kg (50mg/kg),National Technical Information Service. Vol. AD277-689,
- risk_code
- 41-50/53-25
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_code
- Xi,N,T
- safety_code
- 26-39-61-60-45
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H319-H410
- REACH Registrations
- Active
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1Eye Irrit. 2
- Precautionary statements
- P273-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenamine, 2,2'-dithiobis-: ACTIVE
Applications
Uses2,2'-Diaminodiphenyl disulfide, is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff. It is also used as a primary and secondary intermediate.
General DescriptionVisit our Sensor Applications portal to learn more.
Upstream & downstream products
Upstream raw materials
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梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
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Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
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