Basic information
- CAS
3468-11-9- Standard SMILES
N=C1N=C(N)c2ccccc21- InChIKey
RZVCEPSDYHAHLX-UHFFFAOYSA-N- Molecular formula
- C8H7N3
- Average molar mass
- 145.16 g/mol
- Monoisotopic mass
- 145.06399722
Names & identifiers
- Preferred name
- 1H-Isoindol-3-amine, 1-imino-
- IUPAC
- 3-iminoisoindol-1-amine
- English name
- 1,3-Isoindolinediimine
- Molecular formula
- C8H7N3
- Molecular weight
- 145.16
Names & synonyms
1,3-Diiminoisoindoline3468-11-91-Imino-1H-isoindol-3-aminePhthalimidimideDiiminoisoindolineFastogen Blue 50401H-Isoindol-3-amine, 1-imino-Fastogen Blue SH-100Fastogen Blue FP-3100AminoiminoisoindolenineAfastogen Blue 5040Modr ftalostanova 3g
Show more names
Phthalimide diimideisoindoline-1,3-diiminephthalogenfastogenblue5040Compound Fr14087modrftalostanova3gfastogenbluesh-100
Phthalocyanine Blue 01206Phthalocyanine Blue 012161-Amino-3-iminoisoindolenine1,3-Diiminoisoindolin1H-Isoindole, 3-amino-1-imino-NSC 516222Modr Ftalostanova 3G [Czech]1,3-Diiminoisoindolin [Czech]
Database identifiers
- CAS
3468-11-9、57500-34-2- PubChem CID
- 18980
- DTXSID
DTXSID0044658- ChEMBL
CHEMBL3185395- EC Number
- 222-426-8、678-121-9
- Nikkaji
- J26.850J
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 219
Experimental & physicochemical properties
Collision Cross Section126.4 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID0044658]
Physicochemical properties
- Melting point
- 197 °C · ~197 °C (dec.)(lit.)
- Boiling point
- 254.27 °C · 254.27°C (rough estimate)
- Density
- 1.2109 · 1.2109 (rough estimate)
- vapor pressure
- 0.003 Pa · 0.003Pa at 20℃
- refractive index
- 1.54 · 1.5400 (estimate)
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- solubility
- DMSO (Slightly, Sonicated), Methanol (Slightly)
- pka
- 8.47 · 8.47±0.20(Predicted)
- form
- Solid
- color
- Pale Yellow
- Water Solubility
- 31.6 g/L · 31.6g/L at 20℃
- BRN
- 118477 · 118477
- Major Application
- diagnostic assay manufacturinghematologyhistology
- InChI
- 1S/C8H7N3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H,(H3,9,10,11)
- InChIKey
- RZVCEPSDYHAHLX-UHFFFAOYSA-N
- SMILES
- N=C1NC(=N)c2ccccc12
- LogP
- 0.62 at · 0.62 at 20℃
- CAS DataBase Reference
- 3468 · 3468-11-9(CAS DataBase Reference)
- EPA Substance Registry System
- 1 H-Isoindol-3-amine, · 1H-Isoindol-3-amine, 1-imino- (3468-11-9)
- UNSPSC Code
- 12171500 · 12171500
- NACRES
- 47 · NA.47
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 315 · H315-H318-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- Hazard Codes
- Xi,T
- Risk Statements
- 36 · 36/37/38-23/24/25
- Safety Statements
- 26 · 26-36-45-36/37/39-28
- RIDADR
- 3077 · UN3077
- WGK Germany
- 3 · 3
- RTECS
- 3500000 · NR3500000
- F
- 3 · 3-9-34
- TSCA
- TSCA listed
- HazardClass
- 9 · 9
- HS Code
- 29252900 · 29252900
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 1 Skin · Eye Dam. 1Skin Irrit. 2STOT SE 3
- REACH Registrations
- Active
- Limited Quantities
- 5 kg · 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
Danger
H301 (76.3%): Toxic if swallowed [Danger Acute toxicity, oral]
P203, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P330, P332+P317, P333+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 190 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Hazard information
Regulatory Information
Chemical: 1H-Isoindol-3-amine, 1-imino-
Status: Active Update: 08-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/25833
Hazard Classes and Categories
Acute Tox. 3 (76.3%)
Skin Irrit. 2 (100%)
Safety data
- F
- 3-9-34
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- NR3500000
- ridadr
- UN3077
- hs_code
- 29252900
- risk_code
- 36/37/38-23/24/25
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi,T
- safety_code
- 26-36-45-36/37/39-28
- hazard_class
- 9
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H318-H335
- Limited Quantities
- 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
- Eye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Isoindol-3-amine, 1-imino-: ACTIVE
Applications
Uses1,3-Diiminoisoindoline is a useful compound in the production of colouring compositions. Dyes and metabolites.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
南京予善化工有限公司025-025-85281586 +86-18105181009
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
山东前元高分子材料有限公司18678041314 18765609661 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
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Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉市聚舜化工有限公司027-02783261126 18971318572 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
上海攀鸿化工科技有限公司021-56491756 13512199871 · [email protected]
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山东西亚化学有限公司13355009207 13355009207 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
南京化学试剂股份有限公司025-58369808 17895012682 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
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成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
湖南华腾制药有限公司400-8592883 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
康迪斯化工（湖北）有限公司13125172151 · [email protected]
桦特昇生物科技（武汉）有限公司027-59207879 1972026995 18140587686 · [email protected]
潍坊市前进精细化工有限公司18753684562 · [email protected]
山东中腾生物科技有限公司0536-18660691112 18660691112 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
石家庄斯迪亚诺精细化工有限公司0311-89250318 031166536426 · [email protected]
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湖北齐飞医药化工有限公司027-59322506 18071128681 · [email protected]
安泰精细化工技术有限公司18503026267 · [email protected]
广东翁江化学试剂有限公司0751-2886750 13927877953 · [email protected]
武汉卡诺斯科技有限公司18064039730 · [email protected]
Related reactions
1 records
Compound notes
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