Basic information
- CAS
3288-04-8- Standard SMILES
COc1ccccc1N=C=S- InChIKey
QKAOOWJWWKWWOZ-UHFFFAOYSA-N- Molecular formula
- C8H7NOS
- Average molar mass
- 165.21 g/mol
- Monoisotopic mass
- 165.02483502
Names & identifiers
- Preferred name
- 2-Methoxyphenyl Isothiocyanate
- IUPAC
- 1-isothiocyanato-2-methoxybenzene
- English name
- 2-Methoxyphenyl isothiocyanate
- Molecular formula
- C8H7NOS
- Molecular weight
- 165.21
Names & synonyms
2-Methoxyphenyl isothiocyanate3288-04-8Benzene, 1-isothiocyanato-2-methoxy-o-Methoxyphenyl isothiocyanateDTXSID10334404RefChem:87939DTXCID80285494628-241-2QKAOOWJWWKWWOZ-UHFFFAOYSA-N1-Isothiocyanato-2-methoxybenzene2-METHOXYPHENylisoTHIOCYANATEMFCD00011675
Show more names
guaiacyl isothiocyanateo-Anisyl isothiocyanate2-Methoxy-1-isothiocyanatobenzene2-Methoxyphenyl isothiocyate, 99%2-Methoxyphenyl isothiocyanate 98%2-Methoxyphenyl isothiocyanate,99%
SCHEMBL331765orthomethoxyphenyl isothiocyanate1-isothiocyanato-2-methoxy-benzene2-isothiocyanato-1-methoxy-benzeneIsothiocyanic Acid 2-Methoxyphenyl EsterBP-10889I05122-methoxybenzenisothiocyanate
Database identifiers
- CAS
3288-04-8- PubChem CID
- 520599
- DTXSID
DTXSID10334404- EC Number
- 628-241-2
- Nikkaji
- J265.503I
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 53.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Boiling point
- 264 · 264-266 °C
- Density
- 1.19 · 1.19
- refractive index
- 1.6433 · 1.6433-1.6453
- Flash point
- 110 °C · >110°C
- form
- Liquid
- Specific Gravity
- 1.196 · 1.196
- color
- Clear light yellow
- Water Solubility
- Reacts with water.
- Sensitive
- Moisture Sensitive
- BRN
- 638293 · 638293
- InChI
- 1S/C8H7NOS/c1-10-8-5-3-2-4-7(8)9-6-11/h2-5H,1H3
- InChIKey
- QKAOOWJWWKWWOZ-UHFFFAOYSA-N
- SMILES
- COc1ccccc1N=C=S
- LogP
- 4 · 4.000 (est)
- CAS DataBase Reference
- 3288 · 3288-04-8(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 5 · GHS05,GHS07,GHS06
- Signal word
- Danger
- Hazard statements
- 302 · H302-H312-H318-H331-H314-H335
- Precautionary statements
- 260 h-P301+P330+P331-P303+P361+P353-P405-P501a-P261-P280-P305+P351+P338-P310 · P260h-P301+P330+P331-P303+P361+P353-P405-P501a-P261-P280-P305+P351+P338-P310
- target organs
- Respiratory system
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- T,C
- Risk Statements
- 36 · 36/37/38-23/24/25-36/37-34
- Safety Statements
- 45 · 45-38-36/37/39-28A-26-28-27
- RIDADR
- 2922 · 2922
- WGK Germany
- 3 · 3
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 29309090 · 29309090
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 Skin · Eye Dam. 1Skin Corr. 1BSTOT SE 3
- Limited Quantities
- 1 L · 1.0 L (0.3 gallons) (liquid) or 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
H302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H332 (11.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (86.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (11.1%)；Skin Corr. 1B (100%)；Acute Tox. 4 (11.1%)；STOT SE 3 (86.7%)
Safety data
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- 2922
- hs_code
- 29309090
- risk_code
- 36/37/38-23/24/25-36/37-34
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07,GHS06
- hazard_code
- T,C
- safety_code
- 45-38-36/37/39-28A-26-28-27
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H302-H312-H318-H331-H314-H335
- Limited Quantities
- 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1BSTOT SE 3
- Precautionary statements
- P260h-P301+P330+P331-P303+P361+P353-P405-P501a-P261-P280-P305+P351+P338-P310
Chemistry & industry
Applications
UsesO-Methoxyphenyl Isothiocyanate has been shown to have insecticidal activity against yellow-fever mosquito.
General DescriptionIR and Raman spectral measurements of liquid samples of 2-methoxyphenyl isothiocyanate have been investigated.
Upstream & downstream products
Downstream products
Suppliers60 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [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]
山东李比希生物医药科技有限公司17866677155 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [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]
南京诺利斯医药科技有限公司13901585132 · [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]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
内蒙古幸源新材料科技有限公司13770809750
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
山东鑫牧源化工科技有限公司19105383610
九鼎化学（上海）科技有限公司4009209199 · [email protected]
聊城莱博特生物医药科技有限公司0635-893290 · [email protected]
山东利腾生物科技有限公司15020019777 18663721413 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
菏泽丽泽生物科技有限公司10-15853052 15853052030
上海源叶生物科技有限公司13636370518 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
BOC Sciences[email protected]
曼奈科（上海）贸易有限公司021-32503616
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
南京矶浦化工科技有限公司13770529431
北京迈瑞达科技有限公司010-82387566 · [email protected]
广东翁江化学试剂有限公司0751-2815688 13927872512 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
Aladdin Scientific[email protected]
Related reactions
13 records
Compound notes
Loading…