Basic information
- Standard SMILES
CCOc1ccc(N)c([N+](=O)[O-])c1- InChIKey
ISFYBUAVOZFROB-UHFFFAOYSA-N- Molecular formula
- C8H10N2O3
- Average molar mass
- 182.18 g/mol
- Monoisotopic mass
- 182.06914218
Names & identifiers
- Preferred name
- 4-Ethoxy-2-nitroaniline
- IUPAC
- 4-ethoxy-2-nitroaniline
- English name
- 4-ETHOXY-2-NITROANILINE
- Molecular formula
- C8H10N2O3
- Molecular weight
- 182.18
Names & synonyms
4-Ethoxy-2-nitroaniline2-Nitro-p-phenetidineBenzenamine, 4-ethoxy-2-nitro-4-Amino-3-nitrophenetolep-Phenetidine, 2-nitro-(4-ethoxy-2-nitrophenyl)amine2-nitro-4-ethoxyanilineDTXSID8022084NSC 1320EINECS 210-497-8NSC 58160UNII-K7399MO0I4
Show more names
NSC1320NSC58160SBB000231AIDS019471AIDS-019471AKOS B020041ZINC03878823
AI3-08865K7399MO0I4NSC-1320NSC-58160DTXCID2020844-ETHOXY-2-NITROBENZENAMINERefChem:98825ISFYBUAVOZFROB-UHFFFAOYSA-N
Database identifiers
- CAS
616-86-4- PubChem CID
- 69229
- DTXSID
DTXSID8022084- ChEMBL
CHEMBL3185656- UNII
- K7399MO0I4
- EC Number
- 210-497-8
- Nikkaji
- J28.414I
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 81.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Melting point
- 111 · 111-113 °C(lit.)
- Boiling point
- 346.2 · 346.2±22.0 °C(Predicted)
- Density
- 1.264 · 1.264±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 1.01 · 1.01±0.10(Predicted)
- Appearance
- Brown to reddish brown Solid
- InChI
- 1S/C8H10N2O3/c1-2-13-6-3-4-7(9)8(5-6)10(11)12/h3-5H,2,9H2,1H3
- InChIKey
- ISFYBUAVOZFROB-UHFFFAOYSA-N
- SMILES
- CCOc1ccc(N)c(c1)[N+]([O-])=O
- CAS DataBase Reference
- 616 · 616-86-4(CAS DataBase Reference)
- FDA UNII
- 7399 MO0I4 · K7399MO0I4
- EPA Substance Registry System
- 4 · Benzenamine, 4-ethoxy-2-nitro- (616-86-4)
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-37/39
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 29222900 · 29222900
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29222900
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenamine, 4-ethoxy-2-nitro-: INACTIVE
Applications
Uses4-Ethoxy-2-nitroaniline is a biological environmental toxin.
Uses4-Ethoxy-2-nitroaniline may be used in chemical synthesis.
Upstream & downstream products
Downstream products
Suppliers46 total
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
南京林叶化学试剂有限公司13376084917 13376082704 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[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]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
上海耐士化工科技有限公司400-188-0725 +86 21 34310725 13611771617
陕西麟邦实业有限公司17709134430 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [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]
威海怀信生物科技有限公司15662379806 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
R&D Scientific Inc.+1-2266000236 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
南京普鑫医药科技有限公司17366295326 · [email protected]
南京科晟祥科技有限公司18252089365 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
上海策嵘生物科技有限公司（定制合成实验室）13062833949 · [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]
南京泽峰生物医药科技有限公司18851912129 18851912129 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
上海晶石医药科技有限公司021-000000 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
成都百奥特生物医药科技有限公司028-61706249 18328502522 · [email protected]
Changzhou Ansciep Chemical Co., Ltd.+86 519 86305871 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
郑州汇聚化工有限公司037155153829 18003835034 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
天津佳一生物科技有限公司13261917876 13261917876 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
Henan Fengda Chemical Co., Ltd+86-371-86557731 +86-13613820652 · [email protected]
广东胜克生化科技股份有限公司18925113981 18925113981 · [email protected]
陕西奥博利辉新材料科技有限公司0917-18691729 18691729963 · [email protected]
Related reactions
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