Basic information
- CAS
1322-38-9- Standard SMILES
O=C(Nc1ccc(Br)cc1)c1cc(Br)cc(Br)c1O- InChIKey
KVSKGMLNBAPGKH-UHFFFAOYSA-N- Molecular formula
- C13H8Br3NO2
- Average molar mass
- 449.92 g/mol
- Monoisotopic mass
- 446.81052
Overview
Tribromosalicylanilide is a salicylanilide derivative with bromo- substituents at C-3 and C-5 of the salicylate moiety and at C-4 of the anilide moiety. It is functionally related to a salicylanilide.
Names & identifiers
- Preferred name
- 3,4',5-Tribromosalicylanilide
- IUPAC
- 3,5-dibromo-N-(4-bromophenyl)-2-hydroxybenzamide
- English name
- TRIBROMOSALICYLANILIDE
- Molecular formula
- C13H8Br3NO2
- Molecular weight
- 449.92
Names & synonyms
Tribromsalan87-10-5Temasept IV3,4',5-TribromosalicylanilideTrisanilTuasol 100ET-394NSC-20526DTXSID40261816MCE3VTF0OSalicylanilide, 3,4',5-tribromo-BENZAMIDE, 3,5-DIBROMO-N-(4-BROMOPHENYL)-2-HYDROXY-
Show more names
TRIBROMINATEDSALICYLANILIDE
WR-34912CHEBI:127105DTXCID606181DiapheneNSC20526TemaceptRefChem:899088201-723-6
Database identifiers
- CAS
1322-38-9、87-10-5- PubChem CID
- 14868
- DTXSID
DTXSID4026181- ChEMBL
CHEMBL24944- ChEBI
CHEBI:127105- UNII
- 6MCE3VTF0O
- EC Number
- 201-723-6
- Nikkaji
- J4.270F
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 321
Experimental & physicochemical properties
SpringerMaterials PropertiesFusion temperature
PesticidesBiocide
Collision Cross Section173.7 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID4026181]
Physicochemical properties
- Density
- 2.2936 · 2.2936 (rough estimate)
- refractive index
- 1.63 · 1.6300 (estimate)
- EPA Substance Registry System
- 2 · Benzamide, 2-hydroxy-N-phenyl-, tribromo deriv. (1322-38-9)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzamide, 3,5-dibromo-N-(4-bromophenyl)-2-hydroxy-
Hazard Traits - Bioaccumulation; Environmental Persistence
T - indicates a substance that is the subject of a final TSCA section 4 test rule.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzamide, 3,5-dibromo-N-(4-bromophenyl)-2-hydroxy-: ACTIVE
Suppliers45 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉卡诺斯科技有限公司027-83238443 15327105076 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Nanjing Duly Biotech Co.,Ltd+86-18013301590 · [email protected]
伊势久（江苏连云港）生物科技有限责任公司
Related reactions
2 records
Compound notes
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