Basic information
- CAS
190774-56-2- Standard SMILES
COc1ccc(C)cc1N=C=S- InChIKey
CYKFAZDMLSXWKZ-UHFFFAOYSA-N- Molecular formula
- C9H9NOS
- Average molar mass
- 179.24 g/mol
- Monoisotopic mass
- 179.04048508
Names & identifiers
- Preferred name
- 2-Methoxy-5-methylphenyl isothiocyanate
- IUPAC
- 2-isothiocyanato-1-methoxy-4-methylbenzene
- English name
- 2-Methoxy-5-methylphenyl isothiocyanate
- Molecular formula
- C9H9NOS
- Molecular weight
- 179.24
Names & synonyms
190774-56-22-Methoxy-5-methylphenyl isothiocyanateDTXSID40345068RefChem:87854DTXCID40296142621-929-3CYKFAZDMLSXWKZ-UHFFFAOYSA-N2-Isothiocyanato-1-methoxy-4-methylbenzene2-methoxy-5-methylphenylisothiocyanateBenzene, 2-isothiocyanato-1-methoxy-4-methyl-MFCD000410832-isothiocyanato-1-methoxy-4-methyl-benzene
Show more names
2-Methoxy-5-methylphenyl isothiocyate, 99%2-Methoxy-5-methylphenyl isothiocyanate,97%2-Methoxy-5-Methylphenyl isothiocyanate, 97% 5GRBenzene, 2-isothiocyanato-1-methoxy-4-methyl- (9CI)
SCHEMBL10205102-methoxy-5-methylbenzenisothiocyanateAKOS000212251FS-4176SY062115DB-021279ST508251422-Isothiocyanato-1-methoxy-4-methylbenzene #
Database identifiers
- CAS
190774-56-2- PubChem CID
- 601672
- DTXSID
DTXSID40345068- EC Number
- 621-929-3
- Nikkaji
- J3.664.844I
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 53.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 189
Physicochemical properties
- Boiling point
- 288 °C · 288 °C(lit.)
- Density
- 1.146 g/mL · 1.146 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.632(lit.)
- Flash point
- 230 °F · >230 °F
- form
- Liquid
- Specific Gravity
- 1.15 · 1.15
- color
- Clear yellow
- Sensitive
- Moisture Sensitive
- BRN
- 6919550 · 6919550
- CAS DataBase Reference
- 190774 · 190774-56-2(CAS DataBase Reference)
- Symbol(GHS)
- 6 · GHS06,GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H302-H312-H318-H331
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P260h-P301+P330+P331-P303+P361+P353-P405-P501a
- Hazard Codes
- C
- Risk Statements
- 34 · 34
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
H302 (11.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 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 (11.4%)
Safety data
- wgk
- 3
- ridadr
- 2810
- hs_code
- 29309090
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS05
- hazard_code
- C
- safety_code
- 26-27-36/37/39-45
- hazard_class
- 6.1
- packing_group
- II
- Hazard statements
- H314-H302-H312-H318-H331
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P280-P305+P351+P338-P310-P260h-P301+P330+P331-P303+P361+P353-P405-P501a
Chemistry & industry
Suppliers33 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [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]
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]
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]
上海遐瑞医药科技有限公司+86 21 61551611
南京诺利斯医药科技有限公司13901585132 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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