Basic information
- CAS
118-12-7- Standard SMILES
C=C1N(C)c2ccccc2C1(C)C- InChIKey
ZTUKGBOUHWYFGC-UHFFFAOYSA-N- Molecular formula
- C12H15N
- Average molar mass
- 173.25 g/mol
- Monoisotopic mass
- 173.12044948
Names & identifiers
- Preferred name
- 1,3,3-Trimethyl-2-methyleneindoline
- IUPAC
- 1,3,3-trimethyl-2-methylideneindole
- English name
- 1,3,3-Trimethyl-2-methyleneindoline
- Molecular formula
- C12H15N
- Molecular weight
- 173.25
Names & synonyms
1,3,3-Trimethyl-2-methyleneindoline118-12-71H-Indole, 2,3-dihydro-1,3,3-trimethyl-2-methylene-Fischers BaseCCRIS 6608Indoline, 1,3,3-trimethyl-2-methylene-EINECS 204-235-1BRN 0131162DTXSID80515961,3-Dihydro-1,3,3-trimethyl-2-methyleneindoline5-20-07-00141 (Beilstein Handbook Reference)RefChem:72215
Show more names
NSC 66176Trimethyl basefischer’smethylenebaseFischer'S methylene base1,3,3-trimethyl-2-methylindole1,3,3-Trimethyl-2-methylenindol
DTXCID2030148Indoline, 1,3,3-trimethyl-2-methylene-(6CI,7CI,8CI)204-235-1InChI=1/C12H15N/c1-9-12(2,3)10-7-5-6-8-11(10)13(9)4/h5-8H,1H2,2-4HZTUKGBOUHWYFGC-UHFFFAOYSA-NFischer's baseFischer base2-Methylene-1,3,3-trimethylindoline
Database identifiers
- CAS
118-12-7- PubChem CID
- 8351
- DTXSID
DTXSID8051596- UNII
- TW7F4XW78N
- EC Number
- 204-235-1
- Nikkaji
- J131.403C
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Melting point
- -8 °C · -8 °C
- Boiling point
- 248 °C · 248 °C (lit.)
- Density
- 0.979 g/mL · 0.979 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.577(lit.)
- Flash point
- 215 °F · 215 °F
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- negligible
- form
- liquid
- pka
- 2.19 · 2.19±0.40(Predicted)
- Specific Gravity
- 0.98 · 0.98
- color
- red
- Water Solubility
- negligible
- BRN
- 131162 · 131162
- InChI
- 1S/C12H15N/c1-9-12(2,3)10-7-5-6-8-11(10)13(9)4/h5-8H,1H2,2-4H3
- InChIKey
- ZTUKGBOUHWYFGC-UHFFFAOYSA-N
- SMILES
- CN1C(=C)C(C)(C)c2ccccc12
- CAS DataBase Reference
- 118 · 118-12-7(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- NIST Chemistry Reference
- 1 H-Indole, · 1H-Indole, 2,3-dihydro-1,3,3-trimethyl-2-methylene-(118-12-7)
- EPA Substance Registry System
- 1 H-Indole, · 1H-Indole, 2,3-dihydro-1,3,3-trimethyl-2-methylene- (118-12-7)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 302 · H302-H400
- Precautionary statements
- 273 · P273-P301+P312+P330
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn,N
- Risk Statements
- 22 · 22-38-50/53
- Safety Statements
- 28 · 28-60-61-57-37
- RIDADR
- 3082 · UN 3082 9/PG 3
- WGK Germany
- 2 · 2
- RTECS
- 1926500 · NM1926500
- F
- 23 · 23
- TSCA
- TSCA listed
- HazardClass
- 9 · 9
- PackingGroup
- III
- HS Code
- 29339990 · 29339990
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 OralAquatic · Acute Tox. 4 OralAquatic Acute 1
- REACH Registrations
- Active
- Limited Quantities
- 5 L · 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)
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 0.6% (1 of 165) of reports.
Warning
H302 (97%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P280, P301+P317, P302+P352, P321, P330, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 165 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1H-Indole, 2,3-dihydro-1,3,3-trimethyl-2-methylene-
1,3,3-Trimethyl-2-methyleneindoline: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (97%)
Safety data
- F
- 23
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- NM1926500
- ridadr
- UN 3082 9/PG 3
- hs_code
- 29339990
- risk_code
- 22-38-50/53
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- hazard_code
- Xn,N
- safety_code
- 28-60-61-57-37
- hazard_class
- 9
- Storage Class
- 10 - Combustible liquids
- packing_group
- III
- Hazard statements
- H302-H400
- 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)
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 OralAquatic Acute 1
- Precautionary statements
- P273-P301+P312+P330
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Indole, 2,3-dihydro-1,3,3-trimethyl-2-methylene-: ACTIVE
Applications
UsesReactant for:Cycloaddition reactionsPreparation of red photochromic dyesSynthesis of photochromic homopolymers via ring-opening metathesis polymerization
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
24 records
Compound notes
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