Basic information
- Standard SMILES
Nc1cccc(S(N)(=O)=O)c1- InChIKey
JPVKCHIPRSQDKL-UHFFFAOYSA-N- Molecular formula
- C6H8N2O2S
- Average molar mass
- 172.21 g/mol
- Monoisotopic mass
- 172.0306485
Names & identifiers
- Preferred name
- Benzenesulfonamide, 3-amino-
- IUPAC
- 3-aminobenzenesulfonamide
- English name
- 3-Aminobenzenesulfonamide
- Molecular formula
- C6H8N2O2S
- Molecular weight
- 172.2
Names & synonyms
3-AMINOBENZENESULFONAMIDE98-18-0Metanilamidem-AminobenzenesulfonamideBenzenesulfonamide, 3-amino-m-SulfamoylanilineBenzenesulfonamide, m-amino-m-Aminobenzenesulphonamide3-AminosulfonylanilineNSC 7542EINECS 202-646-0BRN 0511851
Show more names
3-SulfanilamideMetanilic acid amide3-Aminobenzenesulfamide3-Aminobenzenesulfomide3-amino-benzenesulfonamid
DTXSID50591614-14-00-02648 (Beilstein Handbook Reference)RefChem:563722DTXCID8049044202-646-03-Aminobenzene-1-SulfonamideMetaniilamideMFCD00035781
Database identifiers
- CAS
98-18-0- PubChem CID
- 7377
- DTXSID
DTXSID5059161- ChEMBL
CHEMBL6852- UNII
- DW73A2TD9A
- EC Number
- 202-646-0
- Nikkaji
- J4.950F
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 94.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 219
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 139 °C · 139 °C
- Boiling point
- 420.7 · 420.7±47.0 °C(Predicted)
- Density
- 1.303 · 1.303 (estimate)
- refractive index
- 1.649 · 1.6490 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- form
- solid
- pka
- 10.34 · 10.34±0.60(Predicted)
- color
- White to Light red to Green
- Water Solubility
- 11.96 g/L · 11.96g/L(24 ºC)
- InChI
- InChI=1S/C6H8N2O2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
- InChIKey
- JPVKCHIPRSQDKL-UHFFFAOYSA-N
- SMILES
- C1(S(N)(=O)=O)=CC=CC(N)=C1
- CAS DataBase Reference
- 98 · 98-18-0(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 73 A2TD9A · DW73A2TD9A
- NIST Chemistry Reference
- m-Aminobenzenesulfonamide(98-18-0)
- EPA Substance Registry System
- 3 · Benzenesulfonamide, 3-amino- (98-18-0)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 24 · 24/25
- WGK Germany
- 3 · 3
- RTECS
- 2200000 · OY2200000
- Hazard Note
- Harmful/Irritant
- TSCA
- TSCA listed
- HS Code
- 29350090 · 29350090
- Storage Class
- 13 · 13 - Non Combustible Solids
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- OY2200000
- hs_code
- 29350090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Harmful/Irritant
- safety_code
- 24/25
- Storage Class
- 13 - Non Combustible Solids
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonamide, 3-amino-: INACTIVE
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
天津瑞德法莫科技有限公司13821803402 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
衢州明锋化工有限公司0570-3062502 13819002126;13819008176 · [email protected]
Syntechem Co.,Ltd[email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
江苏普乐司生物科技有限公司0513-66017706 18551496367 · [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]
太原市瑞和丰科贸有限公司+86 351 7031519 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
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成都添福瑞生物科技有限公司18030648795 18030648795 · [email protected]
河北明吉化工科技有限公司13731109507
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
常州琬瑶生物科技有限公司051989185693 15312551983 · [email protected]
南通合润生物科技有限公司18362409333 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
北京伊诺凯科技有限公司15652467323 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
广东顺奥化学试剂有限公司19928586137 · [email protected]
上海湄水化工科技有限公司021-60549325 18616193163
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海创赛科技有限公司400-6087598 15021221957 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
湖北世腾化工科技有限公司18971850150 19086915685 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
嘉兴市德亿化工有限公司0573-85866609 13325730825 · [email protected]
Related reactions
132 records
Linked notes
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