p-[(p-Nitrophenyl)thio]aniline

Modify Date: 2025-08-23 18:32:02

p-[(p-Nitrophenyl)thio]aniline Structure
p-[(p-Nitrophenyl)thio]aniline structure
 Common Name p-[(p-Nitrophenyl)thio]aniline
CAS Number 101-59-7 Molecular Weight 246.285
Density 1.4±0.1 g/cm3 Boiling Point 479.1±30.0 °C at 760 mmHg
Molecular Formula C12H10N2O2S Melting Point 143-145 °C(lit.)
MSDS Chinese USA Flash Point 243.5±24.6 °C
Symbol GHS07
GHS07		 Signal Word Warning

 Names

Name 4-Amino-4'-Nitrodiphenyl Sulfide
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.4±0.1 g/cm3
Boiling Point 479.1±30.0 °C at 760 mmHg
Melting Point 143-145 °C(lit.)
Molecular Formula C12H10N2O2S
Molecular Weight 246.285
Flash Point 243.5±24.6 °C
Exact Mass 246.046295
PSA 97.14000
LogP 2.88
Vapour Pressure 0.0±1.2 mmHg at 25°C
Index of Refraction 1.696
InChIKey ZBPKGHOGUVVDLF-UHFFFAOYSA-N
SMILES Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
WP9640000
CHEMICAL NAME :
Sulfide, anilino (p-nitrophenyl)
CAS REGISTRY NUMBER :
101-59-7
BEILSTEIN REFERENCE NO. :
1882782
LAST UPDATED :
199710
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C12-H10-N2-O2-S
MOLECULAR WEIGHT :
246.30
WISWESSER LINE NOTATION :
ZR DSR DNW

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Salmonella typhimurium
DOSE/DURATION :
25 ug/plate
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 67,123,1979

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H315-H319-H335
Precautionary Statements P261-P305 + P351 + P338
Personal Protective Equipment dust mask type N95 (US);Eyeshields;Gloves
Hazard Codes Xi: Irritant;
Risk Phrases R36/37/38
Safety Phrases S26-S37/39
RIDADR NONH for all modes of transport
WGK Germany 3
RTECS WP9640000
HS Code 2930909090

 Synthetic Route

 Customs

HS Code 2930909090
Summary 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 p-[(p-Nitrophenyl)thio]anilineBioassay

View more

Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
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 Synonyms

p-[(p-Nitrophenyl)thio]aniline
4-(4-nitrophenyl)sulfanylaniline
4-Aminophenyl 4-Nitrophenyl Sulfide
4-Amino-4′-nitrodiphenyl Sulfide
4-[(4-Nitrophenyl)sulfanyl]aniline
4-Amino-4'-nitrodiphenyl sulfide
4-(4-Nitrophenylthio)aniline
4-((4-Nitrophenyl)thio)aniline
MFCD00007881
EINECS 202-957-1
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