Basic information
- CAS
700-87-8- Standard SMILES
COc1ccccc1N=C=O- InChIKey
SUVCZZADQDCIEQ-UHFFFAOYSA-N- Molecular formula
- C8H7NO2
- Average molar mass
- 149.15 g/mol
- Monoisotopic mass
- 149.04767846
Names & identifiers
- Preferred name
- Benzene, 1-isocyanato-2-methoxy-
- IUPAC
- 1-isocyanato-2-methoxybenzene
- English name
- 2-Methoxyphenyl isocyanate
- Molecular formula
- C8H7NO2
- Molecular weight
- 149.15
Names & synonyms
2-Methoxyphenyl isocyanate700-87-8Benzene, 1-isocyanato-2-methoxy-EINECS 211-853-5DTXSID1061025RefChem:562497DTXCID3046615211-853-51-Isocyanato-2-methoxybenzene2-Methoxyphenylisocyanateo-Methoxyphenyl isocyanateMFCD00002004
Show more names
o-Anisylisocyanateo-Anisyl isocyanat.2-MethoxyphenylIsocyanate>BENZENE,1-ISOCYANATO-2-METHOX2-Methoxyphenyl isocyanate 98%2-Methoxyphenyl isocyanate,99%2-Methoxyphenyl isocyanate-98%
1-isocyanato-2-methoxy-benzeneo-Anisyl isocyanate2-methoxybenzenisocyanate2-Isocyanatoanisolemethoxyphenyl isocyanate2-methoxyphenyl-isocyanateorthomethoxyphenylisocyanate2-methoxy phenyl isocyanate
Database identifiers
- CAS
700-87-8- PubChem CID
- 69695
- DTXSID
DTXSID1061025- EC Number
- 211-853-5
- Nikkaji
- J193.062A
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Boiling point
- 94.8 · 94.8-95.5 °C/10 mmHg (lit.)
- Density
- 1.122 g/mL · 1.122 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.5414(lit.)
- Flash point
- 230 °F · >230 °F
- form
- clear liquid
- color
- Colorless to Light yellow
- Specific Gravity
- 1.122 · 1.122
- Water Solubility
- REACTS
- Sensitive
- Moisture Sensitive
- BRN
- 387700 · 387700
- InChI
- 1S/C8H7NO2/c1-11-8-5-3-2-4-7(8)9-6-10/h2-5H,1H3
- InChIKey
- SUVCZZADQDCIEQ-UHFFFAOYSA-N
- SMILES
- COc1ccccc1N=C=O
- CAS DataBase Reference
- 700 · 700-87-8(CAS DataBase Reference)
- NIST Chemistry Reference
- 1 · Benzene, 1-isocyanato-2-methoxy-(700-87-8)
- EPA Substance Registry System
- 1 · Benzene, 1-isocyanato-2-methoxy- (700-87-8)
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 7 · GHS07,GHS06,GHS08
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H319-H335-H302-H315-H331-H334
- Precautionary statements
- 261 · P261-P280-P305+P351+P338-P280a-P284-P405-P501a
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn,Xi
- Risk Statements
- 20 · 20/21/22-36/37-36/37/38
- Safety Statements
- 26 · 26-27-28-36/39-36/37/39-23
- RIDADR
- 2206 · UN 2206 6.1/PG 2
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 29291090 · 29291090
- Storage Class
- 6.1 A · 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- Hazard Classifications
- 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Sens. 1STOT SE 3
- Limited Quantities
- 100 ml · 100ml (liquid) or 0.5 Kg (solid)
- Excepted Quantities
- Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (95.7%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 2206 6.1/PG 2
- hs_code
- 29291090
- risk_code
- 20/21/22-36/37-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS06,GHS08
- hazard_code
- Xn,Xi
- hazard_note
- Irritant
- safety_code
- 26-27-28-36/39-36/37/39-23
- hazard_class
- 6.1
- Storage Class
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H302+H312+H332-H319-H335-H302-H315-H331-H334
- Limited Quantities
- 100ml (liquid) or 0.5 Kg (solid)
- Excepted Quantities
- Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Sens. 1STOT SE 3
- Precautionary statements
- P261-P280-P305+P351+P338-P280a-P284-P405-P501a
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1-isocyanato-2-methoxy-: INACTIVE
Applications
Uses2-Methoxyphenyl isocyanate is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.
General DescriptionThe IR and Raman spectra of 2-methoxyphenyl isocyanate was studied.
Upstream & downstream products
Upstream raw materials
Suppliers64 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [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]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
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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]
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Syntechem Co.,Ltd[email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
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武汉凯威斯科技有限公司86-027-67849912 · [email protected]
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Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [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]
河南赢创生物科技有限公司15672878902 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
常州天瑞医药科技有限公司0519-85386832 13382812559 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [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]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
南京普鑫医药科技有限公司17366295326 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
东阳市求索医药科技有限公司17502510579 · [email protected]
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成都华纯科技有限公司400-1166-196 15982826727 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
上海臻励生物科技有限公司021-16621358918; 18516310516;16621358918;13045646768 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
艾览（上海）化工科技有限公司400-668-9898 · [email protected]
上海晶石医药科技有限公司021-000000 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
Related reactions
109 records
Compound notes
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