Basic information
- Standard SMILES
O=C=Nc1cc(Cl)ccc1Cl- InChIKey
PEQMJVGRHNZPAM-UHFFFAOYSA-N- Molecular formula
- C7H3Cl2NO
- Average molar mass
- 188.01 g/mol
- Monoisotopic mass
- 186.9591691
Names & identifiers
- Preferred name
- Benzene, 1,4-dichloro-2-isocyanato-
- IUPAC
- 1,4-dichloro-2-isocyanatobenzene
- English name
- 2,5-DICHLOROPHENYL ISOCYANATE
- Molecular formula
- C7H3Cl2NO
- Molecular weight
- 188.01
Names & synonyms
Show more names
Database identifiers
- CAS
5392-82-5- PubChem CID
- 79360
- DTXSID
DTXSID4063826- UNII
- BMH358YGW4
- EC Number
- 226-396-7
- Nikkaji
- J150.843A
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 29.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Melting point
- 28 · 28-30°C
- Boiling point
- 120 · 120-122°C 20mm
- Density
- 1.3256 · 1.3256 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- Flash point
- 110 °C · >110°C
- storage temp.
- 0 · 0-10°C
- form
- Liquid or Low Melting Solid
- color
- Clear to cloudy colorless to yellow or white to yellow
- FreezingPoint
- 22 to · 22.0 to 26.0 ℃
- Sensitive
- Moisture Sensitive
- BRN
- 388960 · 388960
- CAS DataBase Reference
- 5392 · 5392-82-5(CAS DataBase Reference)
- FDA UNII
- 358 YGW4 · BMH358YGW4
- EPA Substance Registry System
- 1 · Benzene, 1,4-dichloro-2-isocyanato- (5392-82-5)
- Symbol(GHS)
- 6 · GHS06,GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 300 · H300-H330-H334-H300+H330-H315-H319-H335
- Precautionary statements
- 260 · P260-P264-P270-P271-P280-P284-P301+P310+P330-P302+P352+P332+P313+P362+P364-P304+P340+P310-P305+P351+P338+P337+P313-P403+P233-P405-P501-P301+P310a-P304+P340-P305+P351+P338-P320-P330-P501a
- Hazard Codes
- T
- Risk Statements
- 23 · 23/25-36/37/38-42-42/43-23/24/25
- Safety Statements
- 23 · 23-26-36/37/39-45-22
- RIDADR
- 2250 · 2250
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1
- PackingGroup
- II
- HS Code
- 2929100090 · 2929100090
- Limited Quantities
- 0.5 Kg · 0.5 Kg (solid)
- Excepted Quantities
- Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (97.8%): Toxic if swallowed [Danger Acute toxicity, oral];H311 (86.7%): Toxic in contact with skin [Danger Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (86.7%): May cause an allergic skin reaction [Warning Sensitization, Skin];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H330 (13.3%): Fatal if inhaled [Danger Acute toxicity, inhalation];H331 (86.7%): Toxic if inhaled [Danger Acute toxicity, inhalation];H334 (97.8%): 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, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P361+P364, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 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
Safety data
- tsca
- TSCA listed
- ridadr
- 2250
- hs_code
- 2929100090
- risk_code
- 23/25-36/37/38-42-42/43-23/24/25
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS07,GHS08
- hazard_code
- T
- safety_code
- 23-26-36/37/39-45-22
- hazard_class
- 6.1
- packing_group
- II
- Hazard statements
- H300-H330-H334-H300+H330-H315-H319-H335
- Limited Quantities
- 0.5 Kg (solid)
- Excepted Quantities
- Max Inner Pack (1g or 1ml) and Max Outer Pack (500g or 500ml)
- Precautionary statements
- P260-P264-P270-P271-P280-P284-P301+P310+P330-P302+P352+P332+P313+P362+P364-P304+P340+P310-P305+P351+P338+P337+P313-P403+P233-P405-P501-P301+P310a-P304+P340-P305+P351+P338-P320-P330-P501a
Chemistry & industry
Uses & manufacturing
Suppliers41 total
Related reactions
Linked notes
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