Basic information
- CAS
38663-85-3- Standard SMILES
COCCN=C=S- InChIKey
HTSAVXAFEVUJQE-UHFFFAOYSA-N- Molecular formula
- C4H7NOS
- Average molar mass
- 117.17 g/mol
- Monoisotopic mass
- 117.02483484
Names & identifiers
- Preferred name
- 2-Methoxyethyl isothiocyanate
- IUPAC
- 1-isothiocyanato-2-methoxyethane
- English name
- 2-Methoxyethyl isothiocyanate
- Molecular formula
- C4H7NOS
- Molecular weight
- 117.17
Names & synonyms
2-Methoxyethyl isothiocyanate38663-85-31-Isothiocyanato-2-methoxyethaneEINECS 254-070-4DTXSID80191965RefChem:474650DTXCID20114456254-070-42-methoxyethylisothiocyanateEthane, 1-isothiocyanato-2-methoxy-1-isothiocyanato-2-methoxy-ethaneMFCD00041126
Show more names
2-METHOXYETHYL ISOTHIOCYANATE 99%2-Methoxyethyl isothiocyanate, 98+%
2-methoxyethanisothiocyanate1-(Isothiocyanato)-2-methoxyethaneSCHEMBL6781932-methoxy ethyl isothiocyanate2-Methoxyl ethyl isothiocyanate2-Methoxyethyl isothiocyate, 99%1-Isothiocyanato-2-methoxyethane #ALBB-016794
Database identifiers
- CAS
38663-85-3- PubChem CID
- 123475
- DTXSID
DTXSID80191965- EC Number
- 254-070-4
- Nikkaji
- J319.823E
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 53.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 77.8
Physicochemical properties
- Melting point
- 1.08 · 1.080
- Boiling point
- 88 · 88-92 °C (24 mmHg)
- Density
- 1.08 · 1.08
- refractive index
- 1.511 · 1.511-1.513
- Flash point
- 66 °C · 66 °C
- storage temp.
- Keep Cold
- form
- liquid
- Specific Gravity
- 1.08 · 1.08
- Sensitive
- Moisture Sensitive
- BRN
- 773990 · 773990
- InChI
- 1S/C4H7NOS/c1-6-3-2-5-4-7/h2-3H2,1H3
- InChIKey
- HTSAVXAFEVUJQE-UHFFFAOYSA-N
- SMILES
- COCCN=C=S
- CAS DataBase Reference
- 38663 · 38663-85-3(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS06
- Signal word
- Danger
- Hazard statements
- 225 · H225-H301-H312+H332-H315-H319-H335
- Precautionary statements
- 210 · P210-P280-P301+P310-P303+P361+P353-P304+P340+P312-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi,T,Xn
- Risk Statements
- 36 · 36/37-36/37/38-20/21/22
- Safety Statements
- 39 · 39-26-36/37
- RIDADR
- 2810 · 2810
- WGK Germany
- 3 · 3
- Hazard Note
- Harmful/Irritant
- HazardClass
- 6.1 · 6.1
- PackingGroup
- II
- HS Code
- 29309090 · 29309090
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 3 OralAcute · Acute Tox. 3 OralAcute Tox. 4 DermalAcute Tox. 4 InhalationEye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
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
Danger
H225 (88.9%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (88.9%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- 2810
- hs_code
- 29309090
- risk_code
- 36/37-36/37/38-20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS06
- hazard_code
- Xi,T,Xn
- hazard_note
- Harmful/Irritant
- safety_code
- 39-26-36/37
- hazard_class
- 6.1
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- target organs
- Respiratory system
- Hazard statements
- H225-H301-H312+H332-H315-H319-H335
- Hazard Classifications
- Acute Tox. 3 OralAcute Tox. 4 DermalAcute Tox. 4 InhalationEye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P210-P280-P301+P310-P303+P361+P353-P304+P340+P312-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers35 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [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]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
广东顺奥化学试剂有限公司19928586137 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
陕西麟邦实业有限公司17709134430 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
天津安浩生物科技有限公司[email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [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]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [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]
常州合晶化工有限公司85528066 13775048983 · [email protected]
上海特伯化学科技有限公司021-58170097 · [email protected]
安徽宏瀚研新药业有限公司0551-62626652 19334025048
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
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]
Aladdin Scientific[email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海齐奥化工科技有限公司021-58892003 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Related reactions
17 records
Compound notes
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