Grundinformationen
- Standard-SMILES
CC(=O)Nc1ccc(C(=O)O)cc1[N+](=O)[O-]- InChIKey
BRQIMWBIZLRLSV-UHFFFAOYSA-N- Summenformel
- C9H8N2O5
- Durchschnittliche Molmasse
- 224,17 g/mol
- Monoisotopische Masse
- 224,04332136
Namen und Bezeichner
- Bevorzugter Name
- 4-Acetamido-3-nitrobenzoic acid
- IUPAC
- 4-acetamido-3-nitrobenzoic acid
- Lokaler Name
- 4-Acetamido-3-nitrobenzoesure
- Englischer Name
- 4-Acetamido-3-nitrobenzoic acid
- Summenformel
- C9H8N2O5
- Molmasse
- 224.17
Namen und Synonyme
4-Acetamido-3-nitrobenzoic acid1539-06-64-(Acetylamino)-3-nitrobenzoic acidBENZOIC ACID, 4-(ACETYLAMINO)-3-NITRO-UNII-9W2250FZKCNSC 1907389W2250FZKC4-Acetamino-3-nitrobenzoic acidCOMPOUND A1EINECS 216-265-2NSC-190738BENZOIC ACID, 4-ACETAMIDO-3-NITRO-
Weitere Namen anzeigen
IFLAB-BB F0848-0321RARECHEM AL BO 20034-acetamido-3-nitrobenzoate4-Acetimido-3-Nitro-benzoic acid4-ACETYLAMINO-3-NITROBENZOIC ACID4-(acetylamino)-3-nitro-benzoicaci4-Acetamido-3-nitrobenzoic acid 97%4-Acetamido-3-nitrobenzoic acid, 95%
DTXSID3061766RefChem:97598DTXCID7034963216-265-2BRQIMWBIZLRLSV-UHFFFAOYSA-NMFCD000147034-Acetamido-3-nitro benzoic acid4-acetamido-3-nitro-benzoic acid
Datenbank-Bezeichner
- CAS
1539-06-6- PubChem CID
- 73758
- DTXSID
DTXSID3061766- ChEMBL
CHEMBL111082- UNII
- 9W2250FZKC
- EC Number
- 216-265-2
- Nikkaji
- J206.762E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,7
- Polarare Oberfläche (TPSA)
- 112 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 16
- Formalladung
- 0
- Komplexität
- 312
Physikochemische Eigenschaften
- Schmelzpunkt
- 220 · 220-224 °C (lit.)
- Siedepunkt
- 365.56 °C · 365.56°C (rough estimate)
- Dichte
- 1.4656 · 1.4656 (rough estimate)
- Brechungsindex
- 1.557 · 1.5570 (estimate)
- storage temp.
- 2 · 2-8°C
- pka
- 3.62 · 3.62±0.10(Predicted)
- Aggregatzustand
- solid
- BRN
- 2217819 · 2217819
- InChI
- 1S/C9H8N2O5/c1-5(12)10-7-3-2-6(9(13)14)4-8(7)11(15)16/h2-4H,1H3,(H,10,12)(H,13,14)
- InChIKey
- BRQIMWBIZLRLSV-UHFFFAOYSA-N
- SMILES
- CC(=O)Nc1ccc(cc1[N+]([O-])=O)C(O)=O
- CAS Datenbank
- 1539 · 1539-06-6(CAS DataBase Reference)
- EPA chemische Informationen
- 4 · Benzoic acid, 4-(acetylamino)-3-nitro- (1539-06-6)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H317 (90.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesSkin Sens. 1 (90.7%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29242990
- risk_code
- 43-36/37/38
- hazard_code
- Xi
- safety_code
- 36/37-37/39-26-36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Skin Sens. 1
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationBenzoic acid, 4-(acetylamino)-3-nitro-: ACTIVE
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter50 Anbieter
国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京诺德恒信化工技术有限公司010-84929330 13811281791 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [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]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
陕西麟邦实业有限公司17709134430 · [email protected]
苏州亚科科技股份有限公司0512-87182055 13451648594 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [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]
上海波以尔化工有限公司021-50182298 021-50180596 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
上海岚克医药科技发展有限公司0086-21-58956006
上海源叶生物科技有限公司13636370518 · [email protected]
上海巍涛化工有限公司02150630626 17717886015 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
上海启乔生物科技有限公司021-37653318 15221675714 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
武汉赢元贝商贸有限公司86-13349903920 13349903920 · [email protected]
济南睿思医药技术有限公司0531-0531-69900633 19963472814 · [email protected]
Aladdin Scientific[email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
重庆卡兰医药有限公司[email protected]
Zugehörige Reaktionen
12
Verknüpfte Notizen
Wird geladen…