Basic information
- Standard SMILES
O=C(Nc1ccccc1)c1ccccc1O- InChIKey
WKEDVNSFRWHDNR-UHFFFAOYSA-N- Molecular formula
- C13H11NO2
- Average molar mass
- 213.23 g/mol
- Monoisotopic mass
- 213.07897859
Overview
Salicylanilide is an amide of salicylic acid and of aniline; it is therefore both a salicylamide and an anilide. It is a member of salicylamides, a member of salicylanilides and a benzanilide fungicide.
Names & identifiers
- Preferred name
- Salicylanilide
- IUPAC
- 2-hydroxy-N-phenylbenzamide
- English name
- Salicylanilide
- Molecular formula
- C13H11NO2
- Molecular weight
- 213.23
Names & synonyms
SALICYLANILIDE87-17-22-Hydroxy-N-phenylbenzamideSalinidolN-PhenylsalicylamideSalinideBenzamide, 2-hydroxy-N-phenyl-SalicylanilidSalifebrinAnsadolSalnideSalicylic acid anilide
Show more names
Bpc-15Bpc15C26H22N2O4ASKSA88CHIFHsk1DBF4AZDBF1
Shirlan Extrao-HydroxybenzanilideAseptolanHyanilidSherstat SLNShirlan AG2-N-PhenylcarboxamidophenolAnilid kyseliny salicylove
Database identifiers
- CAS
87-17-2- PubChem CID
- 6872
- DTXSID
DTXSID7021784- ChEMBL
CHEMBL82970- ChEBI
CHEBI:239133- UNII
- LHP8NEY345
- EC Number
- 201-727-8
- Nikkaji
- J4.273K
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 236
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
PesticidesPesticides -> Fungicides
LogP3.25
Vapor Pressure0.00000002 [mmHg]
Physical DescriptionOdorless solid; [Merck Index] Light tan powder; [Alfa Aesar MSDS]
Collision Cross Section
145.5 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID7021784]
139.16 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
143.9 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 136 · 136-138 °C (lit.)
- Boiling point
- 353.22 °C · 353.22°C (rough estimate)
- Density
- 1.1544 · 1.1544 (rough estimate)
- bulk density
- 455 kg/m3 · 455kg/m3
- refractive index
- 1.57 · 1.5700 (estimate)
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 2 O: · H2O: slightly soluble
- form
- buffered aqueous glycerol solution
- pka
- 7.11 · 7.11±0.10(Predicted)
- color
- White to Almost white
- PH
- 7 · 7-7.5 (50g/l, H2O, 25℃)
- biological source
- goat
- Water Solubility
- SLIGHTLY SOLUBLE
- Merck
- 14 · 14,8330
- BRN
- 1108135 · 1108135
- InChI
- 1S/C13H11NO2/c15-12-9-5-4-8-11(12)13(16)14-10-6-2-1-3-7-10/h1-9,15H,(H,14,16)
- InChIKey
- WKEDVNSFRWHDNR-UHFFFAOYSA-N
- SMILES
- Oc1ccccc1C(=O)Nc2ccccc2
- CAS DataBase Reference
- 87 · 87-17-2(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 8 NEY345 · LHP8NEY345
- NIST Chemistry Reference
- 2 · Benzamide, 2-hydroxy-N-phenyl-(87-17-2)
- EPA Substance Registry System
- Salicylanilide (87-17-2)
- UNSPSC Code
- 12352203 · 12352203
- NACRES
- 41 · NA.41
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335-H411
- Precautionary statements
- 261 · P261-P264-P271-P273-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39-36
- RIDADR
- 3077 · UN 3077 9 / PGIII
- WGK Germany
- 2 · 2
- RTECS
- 7850000 · VN7850000
- Autoignition Temperature
- 300 °C · >300 °C
- TSCA
- TSCA listed
- HazardClass
- 9 · 9
- HS Code
- 29242995 · 29242995
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Eye · Aquatic Chronic 2Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 1.8% (10 of 560) of reports.
Warning
H315 (98.2%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 560 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzamide, 2-hydroxy-N-phenyl-
Salicylanilide: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and strong eye irritant; [Alfa Aesar MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (98.2%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- VN7850000
- ridadr
- UN 3077 9 / PGIII
- hs_code
- 29242995
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_code
- Xi
- safety_code
- 26-37/39-36
- hazard_class
- 9
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335-H411
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Aquatic Chronic 2Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Autoignition Temperature
- >300 °C
- Precautionary statements
- P261-P264-P271-P273-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Uses
Used as an anti-mildew agent, fungicide, and topical antifungal; [Merck Index]
Farming (Pesticides) [Category: Industry]
General Manufacturing InformationBenzamide, 2-hydroxy-N-phenyl-: ACTIVE
Applications
Usesantipyretic, fungicide
UsesAnti-mildew, fungicide.
UsesSalicylanilides are compounds of varying biological activity ranging from anti-inflammatory agents to antiviral and antimicrobial agents.
General DescriptionSalicylanilide inhibited mycobacterial isocitrate lyase (ICL) and showed a significant antimycobacterial effect.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 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]
湖北万得化工有限公司15377098680 15377098680 · [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]
成都彼样生物科技有限公司18108052721 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
宇瑞（上海）化学有限公司02150456736 18602143071 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海晶抗生物工程有限公司021-54721350 13524668266 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
石家庄斯迪亚诺精细化工有限公司0311-89250318 13582355795 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
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上海健超生物科技有限公司15021035486 18081542813 · [email protected]
ChemeGen 中国18818260767 · [email protected]
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四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
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上海源叶生物科技有限公司13636370518 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
上海贺康生物技术有限公司17721021104 18939837085 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
湖南华腾制药有限公司400-8592883 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
成都润泽本土化工有限公司13096311329 028-88469284 616445927 · [email protected]
Additional notes
DefinitionChEBI: An amide of salicylic acid and of aniline; it is therefore both a salicylamide and an anilide.
Related reactions
10 records
Linked notes
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