CAS 36684-65-8 6-Chloro-1,2,3,4-tetrahydrocarbazole (HCID 326615)

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Basic information

CAS: 36684-65-8
Standard SMILES: Clc1ccc2[nH]c3c(c2c1)CCCC3
InChIKey: CNQQPGJXOHSTQR-UHFFFAOYSA-N
Molecular formula: C12H12ClN
Average molar mass: 205.68 g/mol
Monoisotopic mass: 205.0658271

Names & identifiers

Preferred name: 6-Chloro-1,2,3,4-tetrahydrocarbazole
IUPAC: 6-chloro-2,3,4,9-tetrahydro-1H-carbazole
English name: 6-Chloro-1 2 3 4-tetrahydrocarbazole 9&
Molecular formula: C12H12ClN
Molecular weight: 205.68

Names & synonyms

6-Chloro-1,2,3,4-tetrahydrocarbazoleRefChem:541349623-782-06-Chloro-2,3,4,9-tetrahydro-1H-carbazole36684-65-8MFCD005413311H-Carbazole, 6-chloro-2,3,4,9-tetrahydro-NSC298291DTXSID10315950STK029780ZB1440AKOS000275071

Show more names

NSC 2982911,2,3,4-Tetrahydro-6-chlorocarbazole6-Chloro-1,2,3,4-tetrahydrocarbazole >6-Chloro-1 2 3 4-tetrahydrocarbazole 9&6-CHLORO-1,2,3,4-TETRAHYDROCARBAZOLE, 98 %

DS-4197SB66959C28576-Chloro-1,2,3,4-tetrahydrocarbazole, 98%C748906-Chloro-2,3,4,9-tetrahydro-1H-carbazole #3-chloro-5,6,7,8,9-pentahydro-4aH-carbazoleA21386

Database identifiers

CAS: 36684-65-8
PubChem CID: 326615
DTXSID: DTXSID10315950
EC Number: 623-782-0
Nikkaji: J984.487B

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 15.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 218

Physicochemical properties

Melting point: 145 · 145-148 °C (lit.)
Boiling point: 358.8 · 358.8±37.0 °C(Predicted)
Density: 1.28 · 1.280
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: slightly sol. in Methanol
form: powder to crystal
pka: 16.93 · 16.93±0.20(Predicted)
color: White to Light yellow
λmax: 292 nm · 292nm(ethylene glycol)(lit.)
InChI: InChI=1S/C12H12ClN/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h5-7,14H,1-4H2
InChIKey: CNQQPGJXOHSTQR-UHFFFAOYSA-N
SMILES: N1C2=C(C=C(Cl)C=C2)C2=C1CCCC2
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 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.