CAS 102422-56-0 3-Fluorobenzyl isocyanate (HCID 643499)

Names & identifiers

Preferred name: 3-Fluorobenzyl isocyanate
IUPAC: 1-fluoro-3-(isocyanatomethyl)benzene
English name: 3-Fluorobenzyl isocyanate
Molecular formula: C8H6FNO
Molecular weight: 151.14

Names & synonyms

3-Fluorobenzyl isocyanate102422-56-01-fluoro-3-(isocyanatomethyl)benzenebenzene, 1-fluoro-3-(isocyanatomethyl)-DTXSID60349200RefChem:501948DTXCID80300272627-796-8InChI=1/C8H6FNO/c9-8-3-1-2-7(4-8)5-10-6-11/h1-4H,5H3-FLUOROBENZylisoCYANATEMFCD020936923-fluoro-benzyl isocyanate

Show more names

516554_ALDRICH3-Fluorobenzyl isocyanate 98%

SCHEMBL52633-fluorophenylmethyl isocyanateSCHEMBL28761119SCHEMBL314729433-Fluorobenzyl isocyanate, 98%PHRJTGPFEAUEBC-UHFFFAOYSA-N1-fluoro-3-isocyanatomethylbenzeneALBB-007565

Database identifiers

CAS: 102422-56-0
PubChem CID: 643499
DTXSID: DTXSID60349200
EC Number: 627-796-8

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 29.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 165

Physicochemical properties

Boiling point: 209 °C · 209 °C (lit.)
Density: 1.09 · 1.09±0.1 g/cm3(Predicted)
refractive index: 20 · n20/D 1.506(lit.)
Flash point: 195 °F · 195 °F
storage temp.: 2 · 2-8°C
form: Liquid
color: Clear colorless
InChI: 1S/C8H6FNO/c9-8-3-1-2-7(4-8)5-10-6-11/h1-4H,5H2
InChIKey: PHRJTGPFEAUEBC-UHFFFAOYSA-N
SMILES: Fc1cccc(CN=C=O)c1
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07,GHS08
Signal word: Danger
Hazard statements: 302 · H302+H312+H332-H315-H317-H319-H334-H335
Precautionary statements: 261 · P261-P264-P280-P301+P312-P302+P352+P312-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xn
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 26 · 26-36/37/39
RIDADR: 3080 · UN 3080 6.1/PG 2
WGK Germany: 3 · 3
HazardClass: IRRITANT
Storage Class: 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)；Resp. Sens. 1 (100%)；STOT SE 3 (100%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 3080 6.1/PG 2
risk_code: 20/21/22-36/37/38
Signal word: Danger
Symbol(GHS): GHS07,GHS08
hazard_code: Xn
safety_code: 26-36/37/39
hazard_class: IRRITANT
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
target organs: Respiratory system
Hazard statements: H302+H312+H332-H315-H317-H319-H334-H335
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3
Precautionary statements: P261-P264-P280-P301+P312-P302+P352+P312-P305+P351+P338