Basic information
- Standard SMILES
COc1ccc(N)cc1S(=O)(=O)O- InChIKey
JXZGTFLJFKLVAX-UHFFFAOYSA-N- Molecular formula
- C7H9NO4S
- Average molar mass
- 203.22 g/mol
- Monoisotopic mass
- 203.02522877
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 5-amino-2-methoxy-
- IUPAC
- 5-amino-2-methoxybenzenesulfonic acid
- English name
- p-Anisidine-2-sulfonic acid
- Molecular formula
- C7H9NO4S
- Molecular weight
- 203.22
Names & synonyms
Benzenesulfonic acid, 5-amino-2-methoxy-5-Amino-2-methoxybenzenesulphonic acidDTXSID1064376RefChem:564707DTXCID5044368229-291-46470-17-35-Amino-2-methoxybenzenesulfonic acidMetanilic acid, 6-methoxy-p-Anisidine-3-sulfonic acid6-Methoxymetanilic acid5-amino-2-methoxybenzene-1-sulfonic acid
Show more names
1-methoxy-4p-Anisidine-2-sulfonicaci4-Anisidine-2-sulfonic acidp-Anisidine-2-sulfonic acidP-ANISIDINE-3-SULPHONIC ACID4-METHOXYANLINE-2-SULFONICACIDpenta anisidine-3-sulfonic acid
C7H9NO4SMFCD000357604-Methoxyaniline-3-sulfonic AcidNSC-75464-Aminoanisole-2-sulfonic Acid3-Amino-6-methoxybenzenesulfonic AcidNSC7546NSC 7546
Database identifiers
- CAS
6470-17-3- PubChem CID
- 80945
- DTXSID
DTXSID1064376- UNII
- P7XY8YG2WB
- EC Number
- 229-291-4
- Nikkaji
- J8.412C
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 98 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 258
Physicochemical properties
- Melting point
- 314 · 314-318 °C(lit.)
- Boiling point
- 386.91 ℃[at · 386.91℃[at 101 325 Pa]
- Density
- 1.467 · 1.467±0.06 g/cm3(Predicted)
- vapor pressure
- 0 Pa · 0Pa at 25℃
- form
- powder to crystal
- pka
- -1.24 · -1.24±0.42(Predicted)
- color
- White to Gray to Red
- Water Solubility
- 21.55 g/L · 21.55g/L at 25℃
- InChI
- InChI=1S/C7H9NO4S/c1-12-6-3-2-5(8)4-7(6)13(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)
- InChIKey
- JXZGTFLJFKLVAX-UHFFFAOYSA-N
- SMILES
- C1(S(O)(=O)=O)=CC(N)=CC=C1OC
- LogP
- -2 at · -2 at 25℃
- CAS DataBase Reference
- 6470 · 6470-17-3(CAS DataBase Reference)
- EPA Substance Registry System
- 5 · Benzenesulfonic acid, 5-amino-2-methoxy- (6470-17-3)
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 314 · H314-H315-H319
- Precautionary statements
- 264 · P264-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280-P305+P351+P338-P310
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 1759 · UN 1759 8/PG 2
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 2922.29 · 2922.29.8190
- HazardClass
- 8 · 8
- REACH Registrations
- Inactive
- Limited Quantities
- 1 Kg · 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (97.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationStatus: Cease Manufacture Update: 19-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21465
Hazard Classes and CategoriesSkin Corr. 1B (97.5%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1759 8/PG 2
- hs_code
- 2922.29.8190
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Hazard statements
- H314-H315-H319
- Limited Quantities
- 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- REACH Registrations
- Inactive
- Precautionary statements
- P264-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280-P305+P351+P338-P310
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 5-amino-2-methoxy-: INACTIVE
Upstream & downstream products
Downstream products
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
安徽合诺生物科技有限公司0555-2761852
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
Syntechem Co.,Ltd[email protected]
南通萧畅医药贸易有限公司0513-82104991 18862997351 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Jinan Dexinjia Bio&Tech Co., Ltd+86-0531-82375818 +86-15064153060 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [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]
武汉凯美克化学科技有限公司027-87342388 18086026008 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
启源（广东）医药化工有限公司18026564465 · [email protected]
湖北创联康成药物化学有限公司027-65388397 18164111589 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
成都华纯科技有限公司400-1166-196 15982826727 · [email protected]
广州卡芬生物科技有限公司18029243487 2355327168 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386, 800-988-0390 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
海蔚化学86-21-51086038 · [email protected]
湖北摆渡化学有限公司027-59106051 13627137652 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318584237 · [email protected]
Related reactions
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