Basic information
- CAS
5961-55-7- Standard SMILES
COc1ccc(C#N)c2ccccc12- InChIKey
FRCZUGOIGNQOID-UHFFFAOYSA-N- Molecular formula
- C12H9NO
- Average molar mass
- 183.21 g/mol
- Monoisotopic mass
- 183.06841391
Names & identifiers
- Preferred name
- 4-Methoxy-1-naphthonitrile
- IUPAC
- 4-methoxynaphthalene-1-carbonitrile
- English name
- 4-Methoxy-1-naphthonitrile
- Molecular formula
- C12H9NO
- Molecular weight
- 183.21
Names & synonyms
4-Methoxy-1-naphthonitrile1-Cyano-4-methoxynaphthalene1-Naphthalenecarbonitrile, 4-methoxy-42Q2XWA3AE4-Methoxy-1-naphthalenecarbonitrile1-Naphthonitrile, 4-methoxy-EINECS 227-734-6DTXSID20208288RefChem:99563DTXCID40130779227-734-6FRCZUGOIGNQOID-UHFFFAOYSA-N
Show more names
1-Cyano-4-met1-Cyan-4-methoxynaphthalin1-Cyano-4-methoxynaphtalene4,5-dimethyl-3H-oxazol-2-one4-METHOXY-1-NAPHTHONITRILE 98%4-Methoxy-1-naphthonitrile,98%4-Methoxy-naphthalen-1-carbonitrile
5961-55-74-methoxynaphthalene-1-carbonitrileMFCD00003925CHEMBL445514-methoxynaphthalenecarbonitrile4-Methoxy-naphthalene-1-carbonitrileUNII-42Q2XWA3AE1-methoxy-4-naphthonitrile
Database identifiers
- CAS
5961-55-7- PubChem CID
- 80063
- DTXSID
DTXSID20208288- ChEMBL
CHEMBL44551- UNII
- 42Q2XWA3AE
- EC Number
- 227-734-6
- Nikkaji
- J223.911F
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 242
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 100 · 100-102 °C(lit.)
- Boiling point
- 316.88 °C · 316.88°C (rough estimate)
- Density
- 1.1261 · 1.1261 (rough estimate)
- refractive index
- 1.588 · 1.5880 (estimate)
- storage temp.
- Store at room temperature
- Appearance
- White to off-white Solid
- BRN
- 2096262 · 2096262
- CAS DataBase Reference
- 5961 · 5961-55-7(CAS DataBase Reference)
- FDA UNII
- 42 Q2XWA3AE · 42Q2XWA3AE
- Symbol(GHS)
- 6 · GHS06,GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H302-H312-H331
- Precautionary statements
- 280 · P280-P261-P280h-P304+P340-P311a-P405-P501a
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22
- Safety Statements
- 36 · 36
- RIDADR
- 3276 · 3276
- WGK Germany
- 3 · 3
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 29269095 · 29269095
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 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 CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- ridadr
- 3276
- hs_code
- 29269095
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS06,GHS07
- hazard_code
- Xn
- safety_code
- 36
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H302+H312+H332-H302-H312-H331
- Precautionary statements
- P280-P261-P280h-P304+P340-P311a-P405-P501a
Chemistry & industry
Applications
Uses4-Methoxy-1-naphthonitrile is used as an intermediate in the synthesis of substituted azocin-2(1H)-ones
Upstream & downstream products
Downstream products
Suppliers47 total
河北凡博医药科技有限公司15588346797 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
安徽合诺生物科技有限公司0555-2761852
广东百科试剂有限公司13532366769 13686183698 · [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]
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]
陕西宇鼎卓医药科技有限公司18992018580 18165105898 · [email protected]
菏泽博纳医药科技有限公司15865805009 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
上海耐士化工科技有限公司400-188-0725 +86 21 34310725 13611771617
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400-810-7969 010-59572699 · [email protected]
广东顺奥化学试剂有限公司19928586137 · [email protected]
上海石鑫医药科技有限公司021-18621020637 18621020637 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [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]
淄博百极荣创医药科技有限公司0533-6092686 13371592196 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
广东翁江化学试剂有限公司0751-2886750 13927877953 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
Aladdin Scientific[email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
济南光尘医药科技有限公司18563726319 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
山东天铭生物科技发展有限责任公司400-9019001 400-901-9001
重庆卡兰医药有限公司[email protected]
河北药成医药科技有限责任公司19903117510 19903117580 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
江西伯业医药科技有限公司15387090420 15387090420 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
河南威梯希化工科技有限公司0371-55135753 18003832934 · [email protected]
Related reactions
6 records
Compound notes
Loading…