Basic information
- CAS
737000-97-4- Standard SMILES
S=C=N[C@@H]1CCc2ccccc21- InChIKey
YQGGEOQEFFXRLO-SNVBAGLBSA-N- Molecular formula
- C10H9NS
- Average molar mass
- 175.25 g/mol
- Monoisotopic mass
- 175.04557029
Names & identifiers
- Preferred name
- (R)-(-)-1-Indanyl isothiocyanate
- IUPAC
- (1R)-1-isothiocyanato-2,3-dihydro-1H-indene
- English name
- (R)-(-)-1-INDANYL ISOTHIOCYANATE
- Molecular formula
- C10H9NS
- Molecular weight
- 175.25
Names & synonyms
(R)-(-)-1-Indanyl isothiocyanate737000-97-4(1R)-1-ISOTHIOCYANATO-2,3-DIHYDRO-1H-INDENE(1R)indanisothiocyanateSCHEMBL1922245DTXSID40426962YQGGEOQEFFXRLO-SNVBAGLBSA-NDB-247271ST50408259(R)-(-)-1-Indanyl isothiocyanate, 94%,(R)-1-isothiocyanato-2,3-dihydro-1H-indene1H-Indene, 2,3-dihydro-1-isothiocyanato-, (1R)-
Database identifiers
- CAS
737000-97-4- PubChem CID
- 7018249
- DTXSID
DTXSID40426962- EC Number
- 679-432-2
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 44.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- Boiling point
- 108 · 108-113°C 0,1mm
- Density
- 1 · 1,145 g/cm3
- refractive index
- 1.6134 · 1.6134
- Flash point
- 108 · 108-113°C/0.1mm
- Sensitive
- Moisture Sensitive
- CAS DataBase Reference
- 737000 · 737000-97-4
- Symbol(GHS)
- 5 · GHS05,GHS06
- Hazard statements
- 302 · H302-H312-H314-H318-H331
- Precautionary statements
- 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 2810 · 2810
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, 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 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- ridadr
- 2810
- risk_code
- 20/21/22-36/37/38
- Symbol(GHS)
- GHS05,GHS06
- safety_code
- 26-36/37/39
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H302-H312-H314-H318-H331
- Precautionary statements
- P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
Chemistry & industry
Suppliers6 total
Aladdin Scientific[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]
广东翁江化学试剂有限公司0751-2886750 13927877953 · [email protected]
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
Related reactions
1 records
Compound notes
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